Home Carboxys 4-(dimethylamino)-1-benzothiophene-2-carboxylic acid hydrochloride

4-(dimethylamino)-1-benzothiophene-2-carboxylic acid hydrochloride

CAS No.:
2137696-74-1
Catalog Number:
AG01EKTR
Molecular Formula:
C11H12ClNO2S
Molecular Weight:
257.7365
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Product Description
Catalog Number:
AG01EKTR
Chemical Name:
4-(dimethylamino)-1-benzothiophene-2-carboxylic acid hydrochloride
CAS Number:
2137696-74-1
Molecular Formula:
C11H12ClNO2S
Molecular Weight:
257.7365
MDL Number:
MFCD31457105
IUPAC Name:
4-(dimethylamino)-1-benzothiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H11NO2S.ClH/c1-12(2)8-4-3-5-9-7(8)6-10(15-9)11(13)14;/h3-6H,1-2H3,(H,13,14);1H
InChI Key:
YPGRTMHUDZJNGU-UHFFFAOYSA-N
SMILES:
CN(c1cccc2c1cc(s2)C(=O)O)C.Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.732g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties