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UPF 648

CAS No.:
213400-34-1
Catalog Number:
AG00BF53
Molecular Formula:
C11H8Cl2O3
Molecular Weight:
259.0854
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00BF53
Chemical Name:
UPF 648
CAS Number:
213400-34-1
Molecular Formula:
C11H8Cl2O3
Molecular Weight:
259.0854
MDL Number:
MFCD25976753
IUPAC Name:
(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
InChI Key:
ZBRKMOHDGFGXLN-BQBZGAKWSA-N
SMILES:
OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.985g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.082g/mol
Monoisotopic Mass:
257.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Perinatal kynurenine 3-hydroxylase inhibition in rodents: pathophysiological implications. Journal of neuroscience research 20070301
Properties