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927974-39-8 | 4-Methyl-2-(3-bromophenyl)thiazole-5-carboxylic acid
CAS No: 927974-39-8 Catalog No: AG01EZB7 MDL No:MFCD06857947
Product Description
Catalog Number:
AG01EZB7
Chemical Name:
4-Methyl-2-(3-bromophenyl)thiazole-5-carboxylic acid
CAS Number:
927974-39-8
Molecular Formula:
C11H8BrNO2S
Molecular Weight:
298.1557
MDL Number:
MFCD06857947
IUPAC Name:
2-(3-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChI Key:
SUQBOUSBANHDAL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nc(c(s1)C(=O)O)C
Properties
Complexity:
277
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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