200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 7252-27-9
7252-27-9 | Benzeneacetonitrile, a-(benzoyloxy)-3-nitro-
CAS No: 7252-27-9 Catalog No: AG005GJV MDL No:MFCD00114072
Product Description
Catalog Number:
AG005GJV
Chemical Name:
Benzeneacetonitrile, a-(benzoyloxy)-3-nitro-
CAS Number:
7252-27-9
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD00114072
IUPAC Name:
[cyano-(3-nitrophenyl)methyl] benzoate
InChI:
InChI=1S/C15H10N2O4/c16-10-14(12-7-4-8-13(9-12)17(19)20)21-15(18)11-5-2-1-3-6-11/h1-9,14H
InChI Key:
QQXSHVPSBDZQCC-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)[N+](=O)[O-])OC(=O)c1ccccc1
NSC Number:
47090
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.