Home Carboxys 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid

3-(4-Chlorophenyl)isoxazole-5-carboxylic acid

CAS No.:
338982-11-9
Catalog Number:
AG00CR6T
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$161
- +
250mg
95%
In Stock USA
United States
$269
- +
1g
95%
In Stock USA
United States
$449
- +
Product Description
Catalog Number:
AG00CR6T
Chemical Name:
3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CAS Number:
338982-11-9
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
MDL Number:
MFCD01935955
IUPAC Name:
3-(4-chlorophenyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChI Key:
COIATTMFFQMKKS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.004g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.612g/mol
Monoisotopic Mass:
223.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties