200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 332163-49-2
332163-49-2 | 3-Nitro-N-(3-nitro-benzyl)-N-(3-nitro-phenyl)-benzamide
CAS No: 332163-49-2 Catalog No: AG01EV6U MDL No:
Product Description
Catalog Number:
AG01EV6U
Chemical Name:
3-Nitro-N-(3-nitro-benzyl)-N-(3-nitro-phenyl)-benzamide
CAS Number:
332163-49-2
Molecular Formula:
C20H14N4O7
Molecular Weight:
422.3478
IUPAC Name:
3-nitro-N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C20H14N4O7/c25-20(15-5-2-8-18(11-15)23(28)29)21(16-6-3-9-19(12-16)24(30)31)13-14-4-1-7-17(10-14)22(26)27/h1-12H,13H2
InChI Key:
CXUUABHCDOFZFW-UHFFFAOYSA-N
SMILES:
O=C(N(c1cccc(c1)[N+](=O)[O-])Cc1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.086g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.353g/mol
Monoisotopic Mass:
422.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.