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101495-54-9 | Benzonitrile, 5-chloro-2-methyl-4-nitro-
CAS No: 101495-54-9 Catalog No: AG0004M1 MDL No:MFCD23099965
Product Description
Catalog Number:
AG0004M1
Chemical Name:
Benzonitrile, 5-chloro-2-methyl-4-nitro-
CAS Number:
101495-54-9
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD23099965
IUPAC Name:
5-chloro-2-methyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H5ClN2O2/c1-5-2-8(11(12)13)7(9)3-6(5)4-10/h2-3H,1H3
InChI Key:
ICPPDFBNUAGZKN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(cc1C)[N+](=O)[O-]
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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