methyl 3-fluorobenzoate

methyl 3-fluorobenzoate

CAS: 455-68-5

Formula: C8H7FO2

SMILES: COC(=O)C1=CC=CC(F)=C1

IUPAC: methyl 3-fluorobenzoate

InChI: InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

Composition: C (62.34%), H (4.58%), F (12.33%), O (20.76%)

Molar Mass: 154.14

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.043007628
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YXZNVLYXBIIIOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.3
Topological Polar Surface Area	26.3
Polarizability	14.46
Ring Count	1
Rotatable Bond Count	2

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