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56355-61-4 | Methyl 2-bromo-5-methylthiazole-4-carboxylate
CAS No: 56355-61-4 Catalog No: AG00355V MDL No:MFCD14702517
Product Description
Catalog Number:
AG00355V
Chemical Name:
Methyl 2-bromo-5-methylthiazole-4-carboxylate
CAS Number:
56355-61-4
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD14702517
IUPAC Name:
methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H6BrNO2S/c1-3-4(5(9)10-2)8-6(7)11-3/h1-2H3
InChI Key:
YMKSUNUZQDIVIE-UHFFFAOYSA-N
SMILES:
Cc1sc(nc1C(=O)OC)Br
Properties
Complexity:
167
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:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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