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ethyl (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate

ethyl (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate

CAS: 70461-58-4

Formula: C12H13FO2

SMILES: CCOC(=O)[C@H]1C[C@@H]1C1=CC=C(F)C=C1

IUPAC: ethyl (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate

InChI: InChI=1S/C12H13FO2/c1-2-15-12(14)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3/t10-,11+/m1/s1

Composition: C (69.22%), H (6.29%), F (9.12%), O (15.37%)

Molar Mass: 208.232

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 208.089957822
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KMFYGBAATKYLCU-MNOVXSKESA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.42
Topological Polar Surface Area 26.3
Polarizability 21.09
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 70461-58-4 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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