methyl 2-chloro-6-fluoro-3-methoxybenzoate

methyl 2-chloro-6-fluoro-3-methoxybenzoate

CAS: 1379356-16-7

Formula: C9H8ClFO3

SMILES: COC(=O)C1=C(Cl)C(OC)=CC=C1F

IUPAC: methyl 2-chloro-6-fluoro-3-methoxybenzoate

InChI: InChI=1S/C9H8ClFO3/c1-13-6-4-3-5(11)7(8(6)10)9(12)14-2/h3-4H,1-2H3

Composition: C (49.45%), H (3.69%), Cl (16.22%), F (8.69%), O (21.96%)

Molar Mass: 218.61

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.0146
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OHBLCISPKBEKKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.57
Topological Polar Surface Area	35.53
Polarizability	19.02
Ring Count	1
Rotatable Bond Count	3

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