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113459-91-9 | Benzamide, 3-nitro-N-[(phenylamino)carbonyl]-N-(phenylmethoxy)-
CAS No: 113459-91-9 Catalog No: AG0008OC MDL No:
Product Description
Catalog Number:
AG0008OC
Chemical Name:
Benzamide, 3-nitro-N-[(phenylamino)carbonyl]-N-(phenylmethoxy)-
CAS Number:
113459-91-9
Molecular Formula:
C21H17N3O5
Molecular Weight:
391.3768
IUPAC Name:
3-nitro-N-(phenylcarbamoyl)-N-phenylmethoxybenzamide
InChI:
InChI=1S/C21H17N3O5/c25-20(17-10-7-13-19(14-17)24(27)28)23(29-15-16-8-3-1-4-9-16)21(26)22-18-11-5-2-6-12-18/h1-14H,15H2,(H,22,26)
InChI Key:
ZGSMBLBEDWKZEY-UHFFFAOYSA-N
SMILES:
O=C(N(C(=O)c1cccc(c1)[N+](=O)[O-])OCc1ccccc1)Nc1ccccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.383g/mol
Monoisotopic Mass:
391.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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