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189680-06-6 | Benzonitrile, 2-bromo-5-hydroxy-
CAS No: 189680-06-6 Catalog No: AG002DVU MDL No:MFCD08061922
Product Description
Catalog Number:
AG002DVU
Chemical Name:
Benzonitrile, 2-bromo-5-hydroxy-
CAS Number:
189680-06-6
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD08061922
IUPAC Name:
2-bromo-5-hydroxybenzonitrile
InChI:
InChI=1S/C7H4BrNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
InChI Key:
IXJNUEMHAJZKFW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)ccc1Br
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
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