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88849-27-8 | Benzenamine, N-(4-methoxyphenyl)-3-nitro-
CAS No: 88849-27-8 Catalog No: AG004BP0 MDL No:
Product Description
Catalog Number:
AG004BP0
Chemical Name:
Benzenamine, N-(4-methoxyphenyl)-3-nitro-
CAS Number:
88849-27-8
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
N-(4-methoxyphenyl)-3-nitroaniline
InChI:
InChI=1S/C13H12N2O3/c1-18-13-7-5-10(6-8-13)14-11-3-2-4-12(9-11)15(16)17/h2-9,14H,1H3
InChI Key:
UBBYAHYFZKPDQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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