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58765-86-9 | 2-(4-Bromophenyl)-4-methylthiazole-5-carboxylic acid
CAS No: 58765-86-9 Catalog No: AG01EWJT MDL No:MFCD09800722
Product Description
Catalog Number:
AG01EWJT
Chemical Name:
2-(4-Bromophenyl)-4-methylthiazole-5-carboxylic acid
CAS Number:
58765-86-9
Molecular Formula:
C11H8BrNO2S
Molecular Weight:
298.1557
MDL Number:
MFCD09800722
IUPAC Name:
2-(4-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChI Key:
PMEDEHFPUQRZJW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(c(s1)C(=O)O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.154g/mol
Monoisotopic Mass:
296.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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