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1268713-34-3 | 1,2-Benzenediamine, 5-chloro-4-methyl-N1-phenyl-
CAS No: 1268713-34-3 Catalog No: AG000TEE MDL No:
Product Description
Catalog Number:
AG000TEE
Chemical Name:
1,2-Benzenediamine, 5-chloro-4-methyl-N1-phenyl-
CAS Number:
1268713-34-3
Molecular Formula:
C13H13ClN2
Molecular Weight:
232.7087
IUPAC Name:
4-chloro-5-methyl-2-N-phenylbenzene-1,2-diamine
InChI:
InChI=1S/C13H13ClN2/c1-9-7-12(15)13(8-11(9)14)16-10-5-3-2-4-6-10/h2-8,16H,15H2,1H3
InChI Key:
DMFJAIJYTPZVAJ-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c(cc1Nc1ccccc1)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.711g/mol
Monoisotopic Mass:
232.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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