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115084-49-6 | Benzenamine, 2-chloro-4-[(3-chloro-4-nitrophenyl)methyl]-
CAS No: 115084-49-6 Catalog No: AG000FVJ MDL No:
Product Description
Catalog Number:
AG000FVJ
Chemical Name:
Benzenamine, 2-chloro-4-[(3-chloro-4-nitrophenyl)methyl]-
CAS Number:
115084-49-6
Molecular Formula:
C13H10Cl2N2O2
Molecular Weight:
297.1367
IUPAC Name:
2-chloro-4-[(3-chloro-4-nitrophenyl)methyl]aniline
InChI:
InChI=1S/C13H10Cl2N2O2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17(18)19)11(15)7-9/h1-4,6-7H,5,16H2
InChI Key:
LWKNJSDFOFWBEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.135g/mol
Monoisotopic Mass:
296.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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