p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride

Base Information

• Chemical Name: p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride
• CAS No.: 53483-70-8
• Molecular Formula: C14H12 Cl N3 O5 S . Cl H
• Molecular Weight: 406.24112
• European Community (EC) Number: 258-580-8
• UNII: UTO24D4W2W
• DSSTox Substance ID: DTXSID10201667
• Wikidata: Q27291271
• Mol file: 53483-70-8.mol

Synonyms:53483-70-8;p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride;EINECS 258-580-8;(6R,7R)-4-Nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride;UNII-UTO24D4W2W;UTO24D4W2W;(4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride;p-Nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate monohydrochloride;p-Nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride;C14H12ClN3O5S.ClH;SCHEMBL9564621;DTXSID10201667;C14-H12-Cl-N3-O5-S.Cl-H;(4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride;DS-19941;C75505;W-111072;Q27291271;4'-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE HYDROCHLORIDE;7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLIC ACID, 4'-NITROBENZYL ESTER HYDROCHLORIDE;P-NITROBENZYL 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLATE MONOHYDROCHLORIDE;(6R,7R)-4-NITROBENZYL 7-AMINO-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE HCL;(6R,7R)-4-Nitrobenzyl7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatehydrochloride;4-nitrobenzyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride;5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-CHLORO-8-OXO-, (4-NITROPHENYL)METHYL ESTER, MONOHYDROCHLORIDE, (6R-TRANS)-;p-Nitrobenzyl(6r-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride

Chemical Property of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 4.13E-15mmHg at 25°C
• Boiling Point: 616.1°Cat760mmHg
• Flash Point: 326.4°C
• PSA: 143.75000
• Density: g/cm³
• LogP: 3.29420
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 404.9952971
• Heavy Atom Count: 25
• Complexity: 600

Purity/Quality:

99% ^*data from raw suppliers

4-nitrobenzyl(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl.Cl
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl.Cl