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Home > Bromides > 1579295-12-7
1579295-12-7 | 5-Thiazoleacetic acid, 2-bromo-, methyl ester
CAS No: 1579295-12-7 Catalog No: AG001PTO MDL No:MFCD27922900
Product Description
Catalog Number:
AG001PTO
Chemical Name:
5-Thiazoleacetic acid, 2-bromo-, methyl ester
CAS Number:
1579295-12-7
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD27922900
IUPAC Name:
methyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
InChI:
InChI=1S/C6H6BrNO2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3
InChI Key:
ZHELKJCUNPWHKI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cnc(s1)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.083g/mol
Monoisotopic Mass:
234.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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