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89634-62-8 | Benzenamine, 2-nitro-4-(3-pyridinylmethyl)-
CAS No: 89634-62-8 Catalog No: AG003W92 MDL No:
Product Description
Catalog Number:
AG003W92
Chemical Name:
Benzenamine, 2-nitro-4-(3-pyridinylmethyl)-
CAS Number:
89634-62-8
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
2-nitro-4-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H11N3O2/c13-11-4-3-9(7-12(11)15(16)17)6-10-2-1-5-14-8-10/h1-5,7-8H,6,13H2
InChI Key:
RGWBYTRFKSOJPI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)Cc1cccnc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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