Basic information
- Standard SMILES
NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12- InChIKey
OQSAFIZCBAZPMY-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O3S
- Average molar mass
- 234.66 g/mol
Names & identifiers
- Preferred name
- 7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid108260-01-17-Amino-3-chloro-8-oxo-5-thia-1-aza-bicyclo-[4.2.0]oct-2-ene-2-carboxylic acidSCHEMBL11423570OQSAFIZCBAZPMY-UHFFFAOYSA-NCCG-24153MFCD03650764STK177337AKOS000714838SB67388LS-13268PD199367
Show more names
DB-071767EU-0082953NS00003189ST50024170(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid7-amino-3-chloro-6-oxo-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic aci d7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid
Database identifiers
- PubChem CID
- 40957
- Nikkaji
- J3.652.116C
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 357
Related reactions
4 records
Linked notes
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