Name: Name:1,3-Benzodioxole-4-carboxylic acid, 6-bromo-
Brand: Angene
SKU: AG01DPJK
Rating: 90 (10 reviews)

1,3-Benzodioxole-4-carboxylic acid, 6-bromo-

CAS No.:

72744-57-1

Catalog Number:

AG01DPJK

Molecular Formula:

C8H5BrO4

Molecular Weight:

245.0269

Catalog Number:

AG01DPJK

Chemical Name:

1,3-Benzodioxole-4-carboxylic acid, 6-bromo-

CAS Number:

72744-57-1

Molecular Formula:

C8H5BrO4

Molecular Weight:

245.0269

MDL Number:

MFCD23701720

IUPAC Name:

6-bromo-1,3-benzodioxole-4-carboxylic acid

InChI:

InChI=1S/C8H5BrO4/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-2H,3H2,(H,10,11)

InChI Key:

QLRIAHYAWFMMSW-UHFFFAOYSA-N

SMILES:

Brc1cc2OCOc2c(c1)C(=O)O

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.937g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.028g/mol

Monoisotopic Mass:

243.937g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: