7-bromo-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

7-bromo-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

CAS: 59820-91-6

Formula: C9H7BrO4

SMILES: OC(=O)C1=C(Br)C=C2OCCOC2=C1

IUPAC: 7-bromo-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

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

Composition: C (41.73%), H (2.72%), Br (30.84%), O (24.70%)

Molar Mass: 259.055

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.952772
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DMPSJWYHZMDSPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.89
Topological Polar Surface Area	55.76
Polarizability	20.05
Ring Count	2
Rotatable Bond Count	1

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