Name: Name:(2E)-3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)PROPENOICACID
Brand: Angene
SKU: AG00C8L2
Rating: 90 (10 reviews)

(2E)-3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)PROPENOICACID

CAS No.:

387350-55-2

Catalog Number:

AG00C8L2

Molecular Formula:

C10H6F2O4

Molecular Weight:

228.1490

Catalog Number:

AG00C8L2

Chemical Name:

(2E)-3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)PROPENOICACID

CAS Number:

387350-55-2

Molecular Formula:

C10H6F2O4

Molecular Weight:

228.1490

MDL Number:

MFCD00203111

IUPAC Name:

(E)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid

InChI:

InChI=1S/C10H6F2O4/c11-10(12)15-7-3-1-6(2-4-9(13)14)5-8(7)16-10/h1-5H,(H,13,14)/b4-2+

InChI Key:

KODLBMVQFGJDOK-DUXPYHPUSA-N

SMILES:

OC(=O)/C=C/c1ccc2c(c1)OC(O2)(F)F

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.151g/mol

Monoisotopic Mass:

228.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8