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Home > Nitro Compounds > 332385-03-2
332385-03-2 | N-(4-Methoxy-benzyl)-3-nitro-N-(4-nitro-phenyl)-benzamide
CAS No: 332385-03-2 Catalog No: AG01F7CY MDL No:
Product Description
Catalog Number:
AG01F7CY
Chemical Name:
N-(4-Methoxy-benzyl)-3-nitro-N-(4-nitro-phenyl)-benzamide
CAS Number:
332385-03-2
Molecular Formula:
C21H17N3O6
Molecular Weight:
407.3762
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-3-nitro-N-(4-nitrophenyl)benzamide
InChI:
InChI=1S/C21H17N3O6/c1-30-20-11-5-15(6-12-20)14-22(17-7-9-18(10-8-17)23(26)27)21(25)16-3-2-4-19(13-16)24(28)29/h2-13H,14H2,1H3
InChI Key:
YVFURHVPAVLWKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(C(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.112g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.382g/mol
Monoisotopic Mass:
407.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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