NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(1H-1,2,3-benzotriazol-1-yl)-3-chloropropan-1-one
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IUPAC Traditional name
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1-(1,2,3-benzotriazol-1-yl)-3-chloropropan-1-one
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Synonyms
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1-(2-Chloroethylcarbonyl)-1H-benzotriazole
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1-(3-Chloropropionyl)-1H-benzotriazole
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1-(2-氯乙基羰基)-1H-苯并三唑
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1-(3-氯丙酰)-1H-苯并三唑
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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16.76923
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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1.3954475
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LogD (pH = 7.4)
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1.3954479
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Log P
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1.3954479
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Molar Refractivity
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52.781 cm3
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Polarizability
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21.189768 Å3
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Polar Surface Area
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47.78 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent