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13073-28-4 | Benzonitrile, 3-bromo-2-hydroxy-
CAS No: 13073-28-4 Catalog No: AG000UWE MDL No:MFCD11042854
Product Description
Catalog Number:
AG000UWE
Chemical Name:
Benzonitrile, 3-bromo-2-hydroxy-
CAS Number:
13073-28-4
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD11042854
IUPAC Name:
3-bromo-2-hydroxybenzonitrile
InChI:
InChI=1S/C7H4BrNO/c8-6-3-1-2-5(4-9)7(6)10/h1-3,10H
InChI Key:
BUWXNBPLRLEXOZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1O)Br
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
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