Name: Name:3-chloro-6-(propan-2-yl)-1-benzothiophene-2-carboxylic acid
Brand: Angene
SKU: AG01AHMR
Rating: 90 (10 reviews)

3-chloro-6-(propan-2-yl)-1-benzothiophene-2-carboxylic acid

CAS No.:

923759-70-0

Catalog Number:

AG01AHMR

Molecular Formula:

C12H11ClO2S

Molecular Weight:

254.7325

Catalog Number:

AG01AHMR

Chemical Name:

3-chloro-6-(propan-2-yl)-1-benzothiophene-2-carboxylic acid

CAS Number:

923759-70-0

Molecular Formula:

C12H11ClO2S

Molecular Weight:

254.7325

MDL Number:

MFCD08444917

IUPAC Name:

3-chloro-6-propan-2-yl-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C12H11ClO2S/c1-6(2)7-3-4-8-9(5-7)16-11(10(8)13)12(14)15/h3-6H,1-2H3,(H,14,15)

InChI Key:

GIZXOXIJEGTACR-UHFFFAOYSA-N

SMILES:

CC(c1ccc2c(c1)sc(c2Cl)C(=O)O)C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.728g/mol

Monoisotopic Mass:

254.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6