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73289-85-7 | 2-Bromo-6-hydroxybenzonitrile
CAS No: 73289-85-7 Catalog No: AG0036Q7 MDL No:MFCD12828440
Product Description
Catalog Number:
AG0036Q7
Chemical Name:
2-Bromo-6-hydroxybenzonitrile
CAS Number:
73289-85-7
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD12828440
IUPAC Name:
2-bromo-6-hydroxybenzonitrile
InChI:
InChI=1S/C7H4BrNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChI Key:
YCJPUFJBGIVSTM-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)cccc1Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.948g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.019g/mol
Monoisotopic Mass:
196.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Biotransformation of 3,5-dibromo-4-hydroxybenzonitrile under denitrifying, Fe(III)-reducing, sulfidogenic, and methanogenic conditions. | Environmental toxicology and chemistry 20030301 |
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