CAS 645-09-0 | 3-Nitrobenzamide | CAS Number 645-09-0

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Nitro Compounds > 645-09-0

645-09-0 | 3-Nitrobenzamide

CAS No: 645-09-0 Catalog No: AG003JT3 MDL No:MFCD00007984

Product Description

Catalog Number:

AG003JT3

Chemical Name:

3-Nitrobenzamide

CAS Number:

645-09-0

Molecular Formula:

C7H6N2O3

Molecular Weight:

166.1341

MDL Number:

MFCD00007984

IUPAC Name:

3-nitrobenzamide

InChI:

InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)

InChI Key:

KWAYEPXDGHYGRW-UHFFFAOYSA-N

SMILES:

NC(=O)c1cccc(c1)[N+](=O)[O-]

EC Number:

211-431-0

NSC Number:

37327

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.136g/mol

Monoisotopic Mass:

166.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group.	Langmuir : the ACS journal of surfaces and colloids 20100302
IRAK-4 inhibitors for inflammation.	Current topics in medicinal chemistry 20090501
Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays.	Journal of medicinal chemistry 20090108
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