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Home > Bromides > 1025468-06-7
1025468-06-7 | 2-Thiazolecarboxylic acid, 4-bromo-, methyl ester
CAS No: 1025468-06-7 Catalog No: AG0007OR MDL No:MFCD11114545
Product Description
Catalog Number:
AG0007OR
Chemical Name:
2-Thiazolecarboxylic acid, 4-bromo-, methyl ester
CAS Number:
1025468-06-7
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD11114545
IUPAC Name:
methyl 4-bromo-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C5H4BrNO2S/c1-9-5(8)4-7-3(6)2-10-4/h2H,1H3
InChI Key:
PVBDGICQWHWHGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(cs1)Br
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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