3-(2-fluoro-4-methoxyphenyl)propanenitrile

3-(2-fluoro-4-methoxyphenyl)propanenitrile

CAS: 1803727-00-5

Formula: C10H10FNO

SMILES: COC1=CC(F)=C(CCC#N)C=C1

IUPAC: 3-(2-fluoro-4-methoxyphenyl)propanenitrile

InChI: InChI=1S/C10H10FNO/c1-13-9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3H2,1H3

Composition: C (67.03%), H (5.63%), F (10.60%), N (7.82%), O (8.93%)

Molar Mass: 179.194

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.074642109
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SDJKAWBLMBKEKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.63
Topological Polar Surface Area	33.02
Polarizability	17.89
Ring Count	1
Rotatable Bond Count	3

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