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88310-62-7 | Benzonitrile, 5-chloro-2-hydroxy-3-nitro-
CAS No: 88310-62-7 Catalog No: AG00485A MDL No:
Product Description
Catalog Number:
AG00485A
Chemical Name:
Benzonitrile, 5-chloro-2-hydroxy-3-nitro-
CAS Number:
88310-62-7
Molecular Formula:
C7H3ClN2O3
Molecular Weight:
198.5633
IUPAC Name:
5-chloro-2-hydroxy-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O3/c8-5-1-4(3-9)7(11)6(2-5)10(12)13/h1-2,11H
InChI Key:
YPZASGUTWBNWFJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1O)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.562g/mol
Monoisotopic Mass:
197.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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