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89403-97-4 | Benzonitrile, 2-amino-4-chloro-3-nitro-
CAS No: 89403-97-4 Catalog No: AG003VY9 MDL No:
Product Description
Catalog Number:
AG003VY9
Chemical Name:
Benzonitrile, 2-amino-4-chloro-3-nitro-
CAS Number:
89403-97-4
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
IUPAC Name:
2-amino-4-chloro-3-nitrobenzonitrile
InChI:
InChI=1S/C7H4ClN3O2/c8-5-2-1-4(3-9)6(10)7(5)11(12)13/h1-2H,10H2
InChI Key:
ISQPCSNYJSABLQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1N)[N+](=O)[O-])Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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