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102241-90-7 | Benzamide, N,N'-(phenylmethylene)bis[2-nitro-
CAS No: 102241-90-7 Catalog No: AG0006ZZ MDL No:
Product Description
Catalog Number:
AG0006ZZ
Chemical Name:
Benzamide, N,N'-(phenylmethylene)bis[2-nitro-
CAS Number:
102241-90-7
Molecular Formula:
C21H16N4O6
Molecular Weight:
420.3749
IUPAC Name:
2-nitro-N-[[(2-nitrobenzoyl)amino]-phenylmethyl]benzamide
InChI:
InChI=1S/C21H16N4O6/c26-20(15-10-4-6-12-17(15)24(28)29)22-19(14-8-2-1-3-9-14)23-21(27)16-11-5-7-13-18(16)25(30)31/h1-13,19H,(H,22,26)(H,23,27)
InChI Key:
IRGGNSGVSNCZOX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NC(c1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.107g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
420.381g/mol
Monoisotopic Mass:
420.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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