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MFCD08444364 molecular structure
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3-chloro-N'-(2-chloropropanoyl)benzohydrazide

ChemBase ID: 252512
Molecular Formular: C10H10Cl2N2O2
Molecular Mass: 261.1046
Monoisotopic Mass: 260.01193293
SMILES and InChIs

SMILES:
C(=O)(NNC(=O)c1cc(Cl)ccc1)C(Cl)C
Canonical SMILES:
O=C(C(Cl)C)NNC(=O)c1cccc(c1)Cl
InChI:
InChI=1S/C10H10Cl2N2O2/c1-6(11)9(15)13-14-10(16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKey:
UHNUTARSLZFICO-UHFFFAOYSA-N

Cite this record

CBID:252512 http://www.chembase.cn/molecule-252512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N'-(2-chloropropanoyl)benzohydrazide
IUPAC Traditional name
3-chloro-N'-(2-chloropropanoyl)benzohydrazide
Synonyms
3-chloro-N'-(2-chloropropanoyl)benzohydrazide
MDL Number
MFCD08444364
PubChem SID
164308422
PubChem CID
16227258

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-25420 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9752007  H Acceptors
H Donor LogD (pH = 5.5) 1.931942 
LogD (pH = 7.4) 1.4962084  Log P 1.9445895 
Molar Refractivity 62.0542 cm3 Polarizability 23.725252 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.368 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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