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113965-92-7 | Benzenamine, 3-chloro-N-(4-methylphenyl)-
CAS No: 113965-92-7 Catalog No: AG000A6K MDL No:
Product Description
Catalog Number:
AG000A6K
Chemical Name:
Benzenamine, 3-chloro-N-(4-methylphenyl)-
CAS Number:
113965-92-7
Molecular Formula:
C13H12ClN
Molecular Weight:
217.6941
IUPAC Name:
3-chloro-N-(4-methylphenyl)aniline
InChI:
InChI=1S/C13H12ClN/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9,15H,1H3
InChI Key:
YRRPVNPIKUWJAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1cccc(c1)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.696g/mol
Monoisotopic Mass:
217.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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