(2E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid

(2E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid

CAS: 261762-48-5

Formula: C9H5ClF2O2

SMILES: OC(=O)C=CC1=C(Cl)C(F)=CC=C1F

IUPAC: (2E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+

Composition: C (49.45%), H (2.31%), Cl (16.22%), F (17.38%), O (14.64%)

Molar Mass: 218.58

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.9946134
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IHWVLAUNJHXFGN-DAFODLJHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.3
Topological Polar Surface Area	37.3
Polarizability	17.64
Ring Count	1
Rotatable Bond Count	2

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