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methyl 2,2-difluorocyclopropane-1-carboxylate

methyl 2,2-difluorocyclopropane-1-carboxylate

CAS: 1823877-22-0

Formula: C5H6F2O2

SMILES: COC(=O)C1CC1(F)F

IUPAC: methyl 2,2-difluorocyclopropane-1-carboxylate

InChI: InChI=1/C5H6F2O2/c1-9-4(8)3-2-5(3,6)7/h3H,2H2,1H3

Composition: C (44.13%), H (4.44%), F (27.92%), O (23.51%)

Molar Mass: 136.098

Atom Count: 15

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 136.033585759
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IGODTYYMANEIRW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 25.14
Topological Polar Surface Area 26.3
Polarizability 9.79
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Days
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1823877-22-0 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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