Name: Name:5-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid
Brand: Angene
SKU: AG01ABYX
Rating: 90 (10 reviews)

5-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid

CAS No.:

93670-12-3

Catalog Number:

AG01ABYX

Molecular Formula:

C9H7ClO3

Molecular Weight:

198.6031

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Product Description

Catalog Number:

AG01ABYX

Chemical Name:

5-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid

CAS Number:

93670-12-3

Molecular Formula:

C9H7ClO3

Molecular Weight:

198.6031

MDL Number:

MFCD10696209

IUPAC Name:

5-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid

InChI:

InChI=1S/C9H7ClO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-3,7H,4H2,(H,11,12)

InChI Key:

NDFVCSLNRIFJJR-UHFFFAOYSA-N

SMILES:

OC(=O)C1COc2c1cc(Cl)cc2

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.602g/mol

Monoisotopic Mass:

198.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Dynamic kinetic resolution of 2,3-dihydrobenzo[b]furans: chemoenzymatic synthesis of analgesic agent BRL 37959.	Chemistry (Weinheim an der Bergstrasse, Germany) 20120827