ethyl 2-chloro-4-fluorobenzoate

ethyl 2-chloro-4-fluorobenzoate

CAS: 167758-87-4

Formula: C9H8ClFO2

SMILES: CCOC(=O)C1=C(Cl)C=C(F)C=C1

IUPAC: ethyl 2-chloro-4-fluorobenzoate

InChI: InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3

Composition: C (53.35%), H (3.98%), Cl (17.50%), F (9.38%), O (15.79%)

Molar Mass: 202.61

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.0196854
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MJYAXUKZBQZTTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.85
Topological Polar Surface Area	26.3
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	3

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