Name: Name:7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Brand: Angene
SKU: AG01B52I
Rating: 90 (10 reviews)

7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

CAS No.:

16081-71-3

Catalog Number:

AG01B52I

Molecular Formula:

C9H7BrO4

Molecular Weight:

259.0535

Catalog Number:

AG01B52I

Chemical Name:

7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

CAS Number:

16081-71-3

Molecular Formula:

C9H7BrO4

Molecular Weight:

259.0535

MDL Number:

MFCD01547045

IUPAC Name:

7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

InChI:

InChI=1S/C9H7BrO4/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H,11,12)

InChI Key:

GDFMTYVYQCKKOE-UHFFFAOYSA-N

SMILES:

Brc1cc2OCCOc2c(c1)C(=O)O

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.953g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.055g/mol

Monoisotopic Mass:

257.953g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9