Name: Name:(2E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid
Brand: Angene
SKU: AG01EM8G
Rating: 90 (10 reviews)

(2E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid

CAS No.:

2112766-33-1

Catalog Number:

AG01EM8G

Molecular Formula:

C11H7ClO2S

Molecular Weight:

238.6901

Catalog Number:

AG01EM8G

Chemical Name:

(2E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid

CAS Number:

2112766-33-1

Molecular Formula:

C11H7ClO2S

Molecular Weight:

238.6901

MDL Number:

MFCD06655914

IUPAC Name:

(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid

InChI:

InChI=1S/C11H7ClO2S/c12-11-7-3-1-2-4-8(7)15-9(11)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+

InChI Key:

ZJLYCHHRWGBDAH-AATRIKPKSA-N

SMILES:

OC(=O)/C=C/c1sc2c(c1Cl)cccc2

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.685g/mol

Monoisotopic Mass:

237.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6