200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 81917-96-6
81917-96-6 | DIETHYL 2-BENZAMIDO-2-(NITROMETHYL)PROPANEDIOATE
CAS No: 81917-96-6 Catalog No: AG005GCU MDL No:
Product Description
Catalog Number:
AG005GCU
Chemical Name:
DIETHYL 2-BENZAMIDO-2-(NITROMETHYL)PROPANEDIOATE
CAS Number:
81917-96-6
Molecular Formula:
C15H18N2O7
Molecular Weight:
338.3126
IUPAC Name:
diethyl 2-benzamido-2-(nitromethyl)propanedioate
InChI:
InChI=1S/C15H18N2O7/c1-3-23-13(19)15(10-17(21)22,14(20)24-4-2)16-12(18)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18)
InChI Key:
AICDDJTZHNOGOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(C[N+](=O)[O-])NC(=O)c1ccccc1
NSC Number:
373778
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.316g/mol
Monoisotopic Mass:
338.111g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.