Home Halogens 2-(2-bromo-4-methylphenyl)-4-methylthiazole-5-carboxylic acid

2-(2-bromo-4-methylphenyl)-4-methylthiazole-5-carboxylic acid

CAS No.:
1551680-75-1
Catalog Number:
AG01BS6W
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
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Product Description
Catalog Number:
AG01BS6W
Chemical Name:
2-(2-bromo-4-methylphenyl)-4-methylthiazole-5-carboxylic acid
CAS Number:
1551680-75-1
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD25234551
IUPAC Name:
2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H10BrNO2S/c1-6-3-4-8(9(13)5-6)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChI Key:
JTTNATIZTMDYFT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)c1nc(c(s1)C(=O)O)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties