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1261269-07-1 | 2-Thiazolecarboxylic acid, 4-(2-bromophenyl)-, ethyl ester
CAS No: 1261269-07-1 Catalog No: AG000RPW MDL No:MFCD11846637
Product Description
Catalog Number:
AG000RPW
Chemical Name:
2-Thiazolecarboxylic acid, 4-(2-bromophenyl)-, ethyl ester
CAS Number:
1261269-07-1
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD11846637
IUPAC Name:
ethyl 4-(2-bromophenyl)-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C12H10BrNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChI Key:
SLXFMMOYYUZOAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)c1ccccc1Br
Properties
Complexity:
277
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:
3.9
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