Home Halogens 2-chloro-5-formylthiophene-3-carboxylic acid

2-chloro-5-formylthiophene-3-carboxylic acid

CAS No.:
77133-19-8
Catalog Number:
AG01EIQR
Molecular Formula:
C6H3ClO3S
Molecular Weight:
190.6042
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Product Description
Catalog Number:
AG01EIQR
Chemical Name:
2-chloro-5-formylthiophene-3-carboxylic acid
CAS Number:
77133-19-8
Molecular Formula:
C6H3ClO3S
Molecular Weight:
190.6042
MDL Number:
MFCD31421805
IUPAC Name:
2-chloro-5-formylthiophene-3-carboxylic acid
InChI:
InChI=1S/C6H3ClO3S/c7-5-4(6(9)10)1-3(2-8)11-5/h1-2H,(H,9,10)
InChI Key:
FLFXZLGOEAUBJF-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c(c1)C(=O)O)Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.949g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.597g/mol
Monoisotopic Mass:
189.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties