CAS 1878-65-5 | Benzeneacetic acid, 3-chloro- | CAS Number 1878-65-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 1878-65-5

1878-65-5 | Benzeneacetic acid, 3-chloro-

CAS No: 1878-65-5 Catalog No: AG002GI0 MDL No:MFCD00004332

Product Description

Catalog Number:

AG002GI0

Chemical Name:

Benzeneacetic acid, 3-chloro-

CAS Number:

1878-65-5

Molecular Formula:

C8H7ClO2

Molecular Weight:

170.5930

MDL Number:

MFCD00004332

IUPAC Name:

2-(3-chlorophenyl)acetic acid

InChI:

InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key:

WFPMUFXQDKMVCO-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1cccc(c1)Cl

EC Number:

217-520-0

NSC Number:

87556

Properties

Complexity:

147

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.592g/mol

Monoisotopic Mass:

170.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library.	Bioorganic & medicinal chemistry 20100101
3-(3-Chloro-benz-yl)-1H-isochromen-1-one.	Acta crystallographica. Section E, Structure reports online 20081001