Home Halogens 4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid

4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid

CAS No.:
2107271-27-0
Catalog Number:
AG01ELBO
Molecular Formula:
C5H4BrNO3S
Molecular Weight:
238.0592
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Product Description
Catalog Number:
AG01ELBO
Chemical Name:
4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid
CAS Number:
2107271-27-0
Molecular Formula:
C5H4BrNO3S
Molecular Weight:
238.0592
MDL Number:
MFCD31381007
IUPAC Name:
4-bromo-3-methoxy-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H4BrNO3S/c1-10-4-2(6)3(5(8)9)11-7-4/h1H3,(H,8,9)
InChI Key:
NAPNFCDSGGIFDR-UHFFFAOYSA-N
SMILES:
COc1nsc(c1Br)C(=O)O
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.91g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.055g/mol
Monoisotopic Mass:
236.91g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties