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959755-96-5 | Ethyl 4-bromothiazole-2-carboxylate
CAS No: 959755-96-5 Catalog No: AG0036VO MDL No:MFCD11044971
Product Description
Catalog Number:
AG0036VO
Chemical Name:
Ethyl 4-bromothiazole-2-carboxylate
CAS Number:
959755-96-5
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD11044971
IUPAC Name:
ethyl 4-bromo-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C6H6BrNO2S/c1-2-10-6(9)5-8-4(7)3-11-5/h3H,2H2,1H3
InChI Key:
CFRQYWHXWNRQAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(cs1)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:
2.5
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