methyl 3,4-difluorobenzoate

methyl 3,4-difluorobenzoate

CAS: 369-25-5

Formula: C8H6F2O2

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

IUPAC: methyl 3,4-difluorobenzoate

InChI: InChI=1S/C8H6F2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3

Composition: C (55.82%), H (3.51%), F (22.07%), O (18.59%)

Molar Mass: 172.131

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.033585759
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DWRVHDWKWKFSAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.52
Topological Polar Surface Area	26.3
Polarizability	14.28
Ring Count	1
Rotatable Bond Count	2

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