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177328-30-2 | 5-Thiazolecarboxylic acid, 2-bromo-4-phenyl-, ethyl ester
CAS No: 177328-30-2 Catalog No: AG00258C MDL No:MFCD11220972
Product Description
Catalog Number:
AG00258C
Chemical Name:
5-Thiazolecarboxylic acid, 2-bromo-4-phenyl-, ethyl ester
CAS Number:
177328-30-2
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD11220972
IUPAC Name:
ethyl 2-bromo-4-phenyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H10BrNO2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
MYFOYOXMFDOSPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1c1ccccc1)Br
Properties
Complexity:
271
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:
0
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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