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2315-86-8 | Benzonitrile, 3-bromo-4-hydroxy-
CAS No: 2315-86-8 Catalog No: AG002ME2 MDL No:MFCD00143096
Product Description
Catalog Number:
AG002ME2
Chemical Name:
Benzonitrile, 3-bromo-4-hydroxy-
CAS Number:
2315-86-8
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD00143096
IUPAC Name:
3-bromo-4-hydroxybenzonitrile
InChI:
InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChI Key:
HLHNOIAOWQFNGW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)O
EC Number:
219-022-9
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:
2.2
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