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127919-00-0 | 4-Thiazolecarboxylic acid, 2-bromo-5-phenyl-, methyl ester
CAS No: 127919-00-0 Catalog No: AG000XKK MDL No:
Product Description
Catalog Number:
AG000XKK
Chemical Name:
4-Thiazolecarboxylic acid, 2-bromo-5-phenyl-, methyl ester
CAS Number:
127919-00-0
Molecular Formula:
C11H8BrNO2S
Molecular Weight:
298.1557
IUPAC Name:
methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H8BrNO2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
UQENVOAJIRWFAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1c1ccccc1)Br
Properties
Complexity:
258
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:
0
Isotope Atom Count:
0
Molecular Weight:
298.154g/mol
Monoisotopic Mass:
296.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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