Name: Name:p-nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride
Brand: Angene
SKU: AG00E3EY
Rating: 90 (10 reviews)

p-nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride

CAS No.:

53483-70-8

Catalog Number:

AG00E3EY

Molecular Formula:

C14H13Cl2N3O5S

Molecular Weight:

406.2411

Catalog Number:

AG00E3EY

Chemical Name:

p-nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride

CAS Number:

53483-70-8

Molecular Formula:

C14H13Cl2N3O5S

Molecular Weight:

406.2411

MDL Number:

MFCD30729967

IUPAC Name:

(4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

InChI:

InChI=1S/C14H12ClN3O5S.ClH/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22;/h1-4,10,13H,5-6,16H2;1H/t10-,13-;/m1./s1

InChI Key:

QUSLYJRJAKKYQP-HTMVYDOJSA-N

SMILES:

N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCc1ccc(cc1)[N+](=O)[O-])Cl.Cl

EC Number:

258-580-8

UNII:

UTO24D4W2W

Complexity:

600

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

406.234g/mol

Monoisotopic Mass:

404.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: