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Search term: NFIUKBOGCIKNNF-ZBNHQRMAFV
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 397078
Empirical Formula: C9H1218FNO
Molecular Weight: 168.1986
Nominal Mass: 168 Da
Average Mass: 168.1986 Da
Monoisotopic Mass: 168.092826 Da
Systematic Name:
SMILES: CC(C(c1ccc(cc1)F)O)N
InChI: InChI=1/C9H12FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H​3/t6-,9+/m1/s1/i10-1
InChIKey: NFIUKBOGCIKNNF-ZBNHQRMAFV
Std. InChI: InChI=1S/C9H12FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1​H3/t6-,9+/m1/s1/i10-1
Std. InChIKey: NFIUKBOGCIKNNF-ZBNHQRMASA-N
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ACD/LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: #H bond donors:
#Freely Rotating Bonds: Polar Surface Area: 2
Index of Refraction: 1.538 Molar Refractivity: 45.46 cm3
Molar Volume: 145.2 cm3 Polarizability: 18.02 10-24cm3
Surface Tension: 43.2 dyne/cm Density: 1.164 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C