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Home > Bromides > 1784255-01-1
1784255-01-1 | 4-Thiazolecarboxylic acid, 5-bromo-2-chloro-, methyl ester
CAS No: 1784255-01-1 Catalog No: AG00261C MDL No:MFCD27922923
Product Description
Catalog Number:
AG00261C
Chemical Name:
4-Thiazolecarboxylic acid, 5-bromo-2-chloro-, methyl ester
CAS Number:
1784255-01-1
Molecular Formula:
C5H3BrClNO2S
Molecular Weight:
256.5048
MDL Number:
MFCD27922923
IUPAC Name:
methyl 5-bromo-2-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3
InChI Key:
XAKCFDYLURBGAN-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1Br)Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.876g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.498g/mol
Monoisotopic Mass:
254.876g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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