Name: Name:6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
Brand: Angene
SKU: AG01ABLB
Rating: 90 (10 reviews)

6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

CAS No.:

76301-94-5

Catalog Number:

AG01ABLB

Molecular Formula:

C10H9ClO3

Molecular Weight:

212.6297

Catalog Number:

AG01ABLB

Chemical Name:

6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

CAS Number:

76301-94-5

Molecular Formula:

C10H9ClO3

Molecular Weight:

212.6297

MDL Number:

MFCD16308451

IUPAC Name:

6-chloro-3,4-dihydro-2H-chromene-4-carboxylic acid

InChI:

InChI=1S/C10H9ClO3/c11-6-1-2-9-8(5-6)7(10(12)13)3-4-14-9/h1-2,5,7H,3-4H2,(H,12,13)

InChI Key:

KDOXMLTXESQYSR-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCOc2c1cc(Cl)cc2

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.629g/mol

Monoisotopic Mass:

212.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1