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Home > Nitro Compounds > 339016-52-3
339016-52-3 | 2-(2-nitroethyl)-N-phenylbenzamide
CAS No: 339016-52-3 Catalog No: AG00IQJC MDL No:MFCD00974354
Product Description
Catalog Number:
AG00IQJC
Chemical Name:
2-(2-nitroethyl)-N-phenylbenzamide
CAS Number:
339016-52-3
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
MDL Number:
MFCD00974354
IUPAC Name:
2-(2-nitroethyl)-N-phenylbenzamide
InChI:
InChI=1S/C15H14N2O3/c18-15(16-13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17(19)20/h1-9H,10-11H2,(H,16,18)
InChI Key:
ZYPWPBOAEPMVPE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1ccccc1C(=O)Nc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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