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178803-91-3

178803-91-3 | N-(3,4-Dimethoxyphenyl)-4-nitrobenzamide

CAS No: 178803-91-3 Catalog No: AG00HZWG MDL No:

Product Description

Catalog Number:
AG00HZWG
Chemical Name:
N-(3,4-Dimethoxyphenyl)-4-nitrobenzamide
CAS Number:
178803-91-3
Molecular Formula:
C15H14N2O5
Molecular Weight:
302.2821
IUPAC Name:
N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
InChI:
InChI=1S/C15H14N2O5/c1-21-13-8-5-11(9-14(13)22-2)16-15(18)10-3-6-12(7-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChI Key:
QVRYMECVJRSTFI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
390  
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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