Home Halogens (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS No.:
53994-69-7
Catalog Number:
AG00I9MV
Molecular Formula:
C7H7ClN2O3S
Molecular Weight:
234.6601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$175
- +
10g
97%
In Stock USA
United States
$275
- +
25g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00I9MV
Chemical Name:
(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number:
53994-69-7
Molecular Formula:
C7H7ClN2O3S
Molecular Weight:
234.6601
MDL Number:
MFCD09039101
IUPAC Name:
(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1
InChI Key:
OQSAFIZCBAZPMY-AWFVSMACSA-N
SMILES:
O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)Cl)C(=O)O
EC Number:
258-907-4
UNII:
B9T49E55O2
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
233.987g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.654g/mol
Monoisotopic Mass:
233.987g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8  
Properties