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20983-67-9 | Benzenamine, 4-chloro-N-(4-nitrophenyl)-
CAS No: 20983-67-9 Catalog No: AG002KFT MDL No:MFCD01108458
Product Description
Catalog Number:
AG002KFT
Chemical Name:
Benzenamine, 4-chloro-N-(4-nitrophenyl)-
CAS Number:
20983-67-9
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
MDL Number:
MFCD01108458
IUPAC Name:
N-(4-chlorophenyl)-4-nitroaniline
InChI:
InChI=1S/C12H9ClN2O2/c13-9-1-3-10(4-2-9)14-11-5-7-12(8-6-11)15(16)17/h1-8,14H
InChI Key:
XIKRXMHWCDNQDS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.666g/mol
Monoisotopic Mass:
248.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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