Name: Name:3-chloro-4-methylbenzo[b]thiophene-2-carboxylic acid
Brand: Angene
SKU: AG00H2UK
Rating: 90 (10 reviews)

3-chloro-4-methylbenzo[b]thiophene-2-carboxylic acid

CAS No.:

923772-93-4

Catalog Number:

AG00H2UK

Molecular Formula:

C10H7ClO2S

Molecular Weight:

226.6794

Catalog Number:

AG00H2UK

Chemical Name:

3-chloro-4-methylbenzo[b]thiophene-2-carboxylic acid

CAS Number:

923772-93-4

Molecular Formula:

C10H7ClO2S

Molecular Weight:

226.6794

MDL Number:

MFCD08444746

IUPAC Name:

3-chloro-4-methyl-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C10H7ClO2S/c1-5-3-2-4-6-7(5)8(11)9(14-6)10(12)13/h2-4H,1H3,(H,12,13)

InChI Key:

GAPFLTQPRZZYET-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc2c(c1Cl)c(C)ccc2

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.674g/mol

Monoisotopic Mass:

225.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8