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Home > Nitro Compounds > 6113-65-1
6113-65-1 | N-(4-METHOXYBENZYL)-2-NITROANILINE
CAS No: 6113-65-1 Catalog No: AG00F39G MDL No:MFCD02039489
Product Description
Catalog Number:
AG00F39G
Chemical Name:
N-(4-METHOXYBENZYL)-2-NITROANILINE
CAS Number:
6113-65-1
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD02039489
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-2-nitroaniline
InChI:
InChI=1S/C14H14N2O3/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18/h2-9,15H,10H2,1H3
InChI Key:
KLPVHDQLXCJUOA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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