Home Halogens 2,3-dichloro-1-benzothiophene-7-carboxylic acid

2,3-dichloro-1-benzothiophene-7-carboxylic acid

CAS No.:
1934572-26-5
Catalog Number:
AG01EKS1
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
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Product Description
Catalog Number:
AG01EKS1
Chemical Name:
2,3-dichloro-1-benzothiophene-7-carboxylic acid
CAS Number:
1934572-26-5
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
MDL Number:
MFCD29130826
IUPAC Name:
2,3-dichloro-1-benzothiophene-7-carboxylic acid
InChI:
InChI=1S/C9H4Cl2O2S/c10-6-4-2-1-3-5(9(12)13)7(4)14-8(6)11/h1-3H,(H,12,13)
InChI Key:
SIGUHQRFXAAUIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1sc(c2Cl)Cl
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.931g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.089g/mol
Monoisotopic Mass:
245.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties