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15950-17-1 | Benzenamine, 4-chloro-N-methyl-2-nitro-
CAS No: 15950-17-1 Catalog No: AG001R4M MDL No:MFCD00461746
Product Description
Catalog Number:
AG001R4M
Chemical Name:
Benzenamine, 4-chloro-N-methyl-2-nitro-
CAS Number:
15950-17-1
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD00461746
IUPAC Name:
4-chloro-N-methyl-2-nitroaniline
InChI:
InChI=1S/C7H7ClN2O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3
InChI Key:
LUTBHMSHJATKIS-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
171
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:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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