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119260-67-2 | Benzenamine, 2-chloro-4-[(3-chloro-4-nitrosophenyl)methyl]-
CAS No: 119260-67-2 Catalog No: AG000IGF MDL No:
Product Description
Catalog Number:
AG000IGF
Chemical Name:
Benzenamine, 2-chloro-4-[(3-chloro-4-nitrosophenyl)methyl]-
CAS Number:
119260-67-2
Molecular Formula:
C13H10Cl2N2O
Molecular Weight:
281.1373
IUPAC Name:
2-chloro-4-[(3-chloro-4-nitrosophenyl)methyl]aniline
InChI:
InChI=1S/C13H10Cl2N2O/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17-18)11(15)7-9/h1-4,6-7H,5,16H2
InChI Key:
ZKHILWNFXSZCCP-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.136g/mol
Monoisotopic Mass:
280.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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