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938118-41-3 | 2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CAS No: 938118-41-3 Catalog No: AG01ELEZ MDL No:MFCD09705961
Product Description
Catalog Number:
AG01ELEZ
Chemical Name:
2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
938118-41-3
Molecular Formula:
C11H8BrNO3S
Molecular Weight:
314.1551
MDL Number:
MFCD09705961
IUPAC Name:
2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H8BrNO3S/c1-16-9-3-2-6(12)4-7(9)10-13-8(5-17-10)11(14)15/h2-5H,1H3,(H,14,15)
InChI Key:
XHYRHIOGODKQLC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1scc(n1)C(=O)O)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.941g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.153g/mol
Monoisotopic Mass:
312.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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