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6085-92-3 | 2-Chloro-N-methyl-4-nitroaniline
CAS No: 6085-92-3 Catalog No: AG003GXV MDL No:MFCD00130116
Product Description
Catalog Number:
AG003GXV
Chemical Name:
2-Chloro-N-methyl-4-nitroaniline
CAS Number:
6085-92-3
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD00130116
IUPAC Name:
2-chloro-N-methyl-4-nitroaniline
InChI:
InChI=1S/C7H7ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3
InChI Key:
XAAAOEAESNGEFK-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1Cl)[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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