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81569-46-2

81569-46-2 | Methyl 2-bromo-5-ethylthiazole-4-carboxylate

CAS No: 81569-46-2 Catalog No: AG0051M9 MDL No:MFCD11706992

Product Description

Catalog Number:
AG0051M9
Chemical Name:
Methyl 2-bromo-5-ethylthiazole-4-carboxylate
CAS Number:
81569-46-2
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD11706992
IUPAC Name:
methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H8BrNO2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3
InChI Key:
YVZQQKSGEFCXLI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1CC)Br

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.946g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.11g/mol
Monoisotopic Mass:
248.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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