Name: Name:2,2-difluoro-4-methyl-2H-1,3-benzodioxole-5-carboxylic acid
Brand: Angene
SKU: AG01AN0G
Rating: 90 (10 reviews)

2,2-difluoro-4-methyl-2H-1,3-benzodioxole-5-carboxylic acid

CAS No.:

162506-80-1

Catalog Number:

AG01AN0G

Molecular Formula:

C9H6F2O4

Molecular Weight:

216.1383

Catalog Number:

AG01AN0G

Chemical Name:

2,2-difluoro-4-methyl-2H-1,3-benzodioxole-5-carboxylic acid

CAS Number:

162506-80-1

Molecular Formula:

C9H6F2O4

Molecular Weight:

216.1383

MDL Number:

MFCD24500916

IUPAC Name:

2,2-difluoro-4-methyl-1,3-benzodioxole-5-carboxylic acid

InChI:

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

InChI Key:

WZWWABXHLNOYJW-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1C)OC(O2)(F)F

Complexity:

281

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:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4