(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid

(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid

CAS: 112897-97-9

Formula: C9H6F2O2

SMILES: OC(=O)C=CC1=CC(F)=C(F)C=C1

IUPAC: (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

Composition: C (58.70%), H (3.28%), F (20.63%), O (17.38%)

Molar Mass: 184.142

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.033585759
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HXBOHZQZTWAEHJ-DUXPYHPUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.49
Topological Polar Surface Area	37.3
Polarizability	15.62
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	112897-97-9		$38.76-$197.88$38.76$46.92$63.24$197.88