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178448-14-1 | Benzonitrile, 4-chloro-2-methyl-5-nitro-
CAS No: 178448-14-1 Catalog No: AG00262B MDL No:MFCD21605277
Product Description
Catalog Number:
AG00262B
Chemical Name:
Benzonitrile, 4-chloro-2-methyl-5-nitro-
CAS Number:
178448-14-1
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD21605277
IUPAC Name:
4-chloro-2-methyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H5ClN2O2/c1-5-2-7(9)8(11(12)13)3-6(5)4-10/h2-3H,1H3
InChI Key:
LXKOLWLJMJBJPY-UHFFFAOYSA-N
SMILES:
N#Cc1cc([N+](=O)[O-])c(cc1C)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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