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10066-18-9 | Benzenemethanamine, N-(4-chloro-2-nitrophenyl)-
CAS No: 10066-18-9 Catalog No: AG0002LS MDL No:MFCD01051337
Product Description
Catalog Number:
AG0002LS
Chemical Name:
Benzenemethanamine, N-(4-chloro-2-nitrophenyl)-
CAS Number:
10066-18-9
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
MDL Number:
MFCD01051337
IUPAC Name:
N-benzyl-4-chloro-2-nitroaniline
InChI:
InChI=1S/C13H11ClN2O2/c14-11-6-7-12(13(8-11)16(17)18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChI Key:
LTSBSRAZIKXNMH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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