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13852-53-4 | Benzenamine, 3-chloro-6-methyl-2-nitro-
CAS No: 13852-53-4 Catalog No: AG0019D1 MDL No:MFCD22741513
Product Description
Catalog Number:
AG0019D1
Chemical Name:
Benzenamine, 3-chloro-6-methyl-2-nitro-
CAS Number:
13852-53-4
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD22741513
IUPAC Name:
3-chloro-6-methyl-2-nitroaniline
InChI:
InChI=1S/C7H7ClN2O2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,9H2,1H3
InChI Key:
DKUCSJAKXOTDCM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)ccc(c1N)C
NSC Number:
156950
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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