Home Halogens 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid

3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid

CAS No.:
82424-96-2
Catalog Number:
AG01EKAF
Molecular Formula:
C10H6ClNO2S
Molecular Weight:
239.6781
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Product Description
Catalog Number:
AG01EKAF
Chemical Name:
3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid
CAS Number:
82424-96-2
Molecular Formula:
C10H6ClNO2S
Molecular Weight:
239.6781
MDL Number:
MFCD21304961
IUPAC Name:
3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChI Key:
NWUAHXGTLGILNN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nsc(c1)C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.981g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.673g/mol
Monoisotopic Mass:
238.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties