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22900-83-0 | 5-Thiazolecarboxylic acid, 2-bromo-4-methyl-, ethyl ester
CAS No: 22900-83-0 Catalog No: AG002LE9 MDL No:MFCD03791227
Product Description
Catalog Number:
AG002LE9
Chemical Name:
5-Thiazolecarboxylic acid, 2-bromo-4-methyl-, ethyl ester
CAS Number:
22900-83-0
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD03791227
IUPAC Name:
ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChI Key:
CFBIOWPDDZPIDP-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1C(=O)OCC)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.11g/mol
Monoisotopic Mass:
248.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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