CAS 138879-88-6 | Acetamide-1-14C, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]- (9CI) | CAS Number 138879-88-6

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138879-88-6 | Acetamide-1-14C, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]- (9CI)

CAS No: 138879-88-6 Catalog No: AG0019Q8 MDL No:

Product Description

Catalog Number:

AG0019Q8

Chemical Name:

Acetamide-1-14C, 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]- (9CI)

CAS Number:

138879-88-6

Molecular Formula:

C11H12Cl2N2O5

Molecular Weight:

323.1294

IUPAC Name:

2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

InChI:

InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)

InChI Key:

WIIZWVCIJKGZOK-UHFFFAOYSA-N

SMILES:

OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

NSC Number:

163311

Properties

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.126g/mol

Monoisotopic Mass:

322.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

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
[Improvement of curative measures for peritonites of obstetric and gynecological etiology].	Vestnik khirurgii imeni I. I. Grekova 20040101
[Surgical infected wound treatment in patients with severe gastrointestinal ulcer hemorrhage].	Klinichna khirurhiia 20020101