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methyl 7,7-difluorobicyclo[4.1.0]heptane-3-carboxylate

methyl 7,7-difluorobicyclo[4.1.0]heptane-3-carboxylate

CAS: 1494594-75-0

Formula: C9H12F2O2

SMILES: COC(=O)C1CCC2C(C1)C2(F)F

IUPAC: methyl 7,7-difluorobicyclo[4.1.0]heptane-3-carboxylate

InChI: InChI=1/C9H12F2O2/c1-13-8(12)5-2-3-6-7(4-5)9(6,10)11/h5-7H,2-4H2,1H3

Composition: C (56.84%), H (6.36%), F (19.98%), O (16.82%)

Molar Mass: 190.19

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 190.080535952
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey STPFIHCMBZUFIM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.64
Topological Polar Surface Area 26.3
Polarizability 16.24
Ring Count 2
Rotatable Bond Count 2

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97% <5 Days 1494594-75-0 $184.11-$756.60$184.11$293.81$489.27$756.60
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