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173089-24-2 | 5-Thiazolecarboxylic acid, 2-(bromomethyl)-, ethyl ester
CAS No: 173089-24-2 Catalog No: AG001YLR MDL No:MFCD12913872
Product Description
Catalog Number:
AG001YLR
Chemical Name:
5-Thiazolecarboxylic acid, 2-(bromomethyl)-, ethyl ester
CAS Number:
173089-24-2
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD12913872
IUPAC Name:
ethyl 2-(bromomethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H8BrNO2S/c1-2-11-7(10)5-4-9-6(3-8)12-5/h4H,2-3H2,1H3
InChI Key:
QSASMAYDRANGTN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(s1)CBr
Properties
Complexity:
168
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:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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