Home Halogens 4-Bromo-5-chlorothiophene-2-carboxylic acid

4-Bromo-5-chlorothiophene-2-carboxylic acid

CAS No.:
60729-37-5
Catalog Number:
AG00EGL0
Molecular Formula:
C5H2BrClO2S
Molecular Weight:
241.4902
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Product Description
Catalog Number:
AG00EGL0
Chemical Name:
4-Bromo-5-chlorothiophene-2-carboxylic acid
CAS Number:
60729-37-5
Molecular Formula:
C5H2BrClO2S
Molecular Weight:
241.4902
MDL Number:
MFCD00847582
IUPAC Name:
4-bromo-5-chlorothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H2BrClO2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChI Key:
CFVLYODPDQGKTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)Cl)Br
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.865g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.483g/mol
Monoisotopic Mass:
239.865g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties