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

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

CAS: 656-46-2

Formula: C8H4F2O4

SMILES: OC(=O)C1=CC2=C(OC(F)(F)O2)C=C1

IUPAC: 2,2-difluoro-2H-1,3-benzodioxole-5-carboxylic acid

InChI: InChI=1S/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)

Composition: C (47.54%), H (1.99%), F (18.80%), O (31.66%)

Molar Mass: 202.113

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.007764935
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VJLDRFCNFNQTTH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.15
Topological Polar Surface Area	55.76
Polarizability	15
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.87%	<7 Days	656-46-2		$9.35-$481.53$9.35$12.16$27.12$102.85$481.53