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Home > Nitro Compounds > 331417-88-0
331417-88-0 | N-(3,4-Dimethoxyphenyl)-3-nitrobenzamide
CAS No: 331417-88-0 Catalog No: AG00I6EU MDL No:
Product Description
Catalog Number:
AG00I6EU
Chemical Name:
N-(3,4-Dimethoxyphenyl)-3-nitrobenzamide
CAS Number:
331417-88-0
Molecular Formula:
C15H14N2O5
Molecular Weight:
302.2821
IUPAC Name:
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
InChI:
InChI=1S/C15H14N2O5/c1-21-13-7-6-11(9-14(13)22-2)16-15(18)10-4-3-5-12(8-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChI Key:
HOJSRIZTXFOCQL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.286g/mol
Monoisotopic Mass:
302.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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