Name: Name:1,3-Benzodioxole-4-carboxylic acid, 2,2-difluoro-, methyl ester
Brand: Angene
SKU: AG00I9HK
Rating: 90 (10 reviews)

1,3-Benzodioxole-4-carboxylic acid, 2,2-difluoro-, methyl ester

CAS No.:

531508-32-4

Catalog Number:

AG00I9HK

Molecular Formula:

C9H6F2O4

Molecular Weight:

216.1383

Catalog Number:

AG00I9HK

Chemical Name:

1,3-Benzodioxole-4-carboxylic acid, 2,2-difluoro-, methyl ester

CAS Number:

531508-32-4

Molecular Formula:

C9H6F2O4

Molecular Weight:

216.1383

MDL Number:

MFCD17016041

IUPAC Name:

methyl 2,2-difluoro-1,3-benzodioxole-4-carboxylate

InChI:

InChI=1S/C9H6F2O4/c1-13-8(12)5-3-2-4-6-7(5)15-9(10,11)14-6/h2-4H,1H3

InChI Key:

YOFVVETULGVRHY-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc2c1OC(O2)(F)F

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.14g/mol

Monoisotopic Mass:

216.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4