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101513-60-4 | Benzenamine, 2-chloro-N-methyl-5-nitro-
CAS No: 101513-60-4 Catalog No: AG0004P8 MDL No:
Product Description
Catalog Number:
AG0004P8
Chemical Name:
Benzenamine, 2-chloro-N-methyl-5-nitro-
CAS Number:
101513-60-4
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
2-chloro-N-methyl-5-nitroaniline
InChI:
InChI=1S/C7H7ClN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3
InChI Key:
COAVDUBTKDZPLC-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1Cl)[N+](=O)[O-]
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:
2.5
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