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145691-59-4 molecular structure
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(2-bromo-5-chlorophenyl)methanol

ChemBase ID: 180226
Molecular Formular: C7H6BrClO
Molecular Mass: 221.47894
Monoisotopic Mass: 219.92905449
SMILES and InChIs

SMILES:
c1(c(ccc(c1)Cl)Br)CO
Canonical SMILES:
OCc1cc(Cl)ccc1Br
InChI:
InChI=1S/C7H6BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey:
YOLUSOFTODTRQV-UHFFFAOYSA-N

Cite this record

CBID:180226 http://www.chembase.cn/molecule-180226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-bromo-5-chlorophenyl)methanol
IUPAC Traditional name
(2-bromo-5-chlorophenyl)methanol
Synonyms
2-bromo-5-chlorobenzyl alcohol
CAS Number
145691-59-4
PubChem SID
164236136
PubChem CID
23363134

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
CHB62806 external link Add to cart Please log in.
Data Source Data ID
PubChem 23363134 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.67827  H Acceptors
H Donor LogD (pH = 5.5) 2.5786934 
LogD (pH = 7.4) 2.5786934  Log P 2.5786934 
Molar Refractivity 45.3015 cm3 Polarizability 17.572191 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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