methyl 3,6-difluoro-2-nitrobenzoate

methyl 3,6-difluoro-2-nitrobenzoate

CAS: 1803730-28-0

Formula: C8H5F2NO4

SMILES: COC(=O)C1=C(F)C=CC(F)=C1[N+]([O-])=O

IUPAC: methyl 3,6-difluoro-2-nitrobenzoate

InChI: InChI=1S/C8H5F2NO4/c1-15-8(12)6-4(9)2-3-5(10)7(6)11(13)14/h2-3H,1H3

Composition: C (44.25%), H (2.32%), F (17.50%), N (6.45%), O (29.47%)

Molar Mass: 217.128

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.018663971
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PSZJMAZVCNQMSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.84
Topological Polar Surface Area	69.44
Polarizability	16.42
Ring Count	1
Rotatable Bond Count	3

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