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6-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Formula: C15H16FNO3

SMILES: CC1=CC(NC(=O)C2CC=CCC2C(O)=O)=C(F)C=C1

IUPAC: 6-[(2-fluoro-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1/C15H16FNO3/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,18)(H,19,20)

Composition: C (64.97%), H (5.82%), F (6.85%), N (5.05%), O (17.31%)

Molar Mass: 277.295

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 277.111421542
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UCXAITHANWQUDR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.74
Topological Polar Surface Area 66.4
Polarizability 27.28
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H16FNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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