1,3-dimethyl 2-(5-fluoro-2-nitrophenyl)propanedioate

1,3-dimethyl 2-(5-fluoro-2-nitrophenyl)propanedioate

CAS: 147124-34-3

Formula: C11H10FNO6

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

IUPAC: 1,3-dimethyl 2-(5-fluoro-2-nitrophenyl)propanedioate

InChI: InChI=1S/C11H10FNO6/c1-18-10(14)9(11(15)19-2)7-5-6(12)3-4-8(7)13(16)17/h3-5,9H,1-2H3

Composition: C (48.72%), H (3.72%), F (7.01%), N (5.16%), O (35.40%)

Molar Mass: 271.2

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.049215209
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BFQLFVFACPPWDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.73
Topological Polar Surface Area	95.74
Polarizability	22.91
Ring Count	1
Rotatable Bond Count	6

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