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4-[(3-fluorophenyl)methyl]aniline

4-[(3-fluorophenyl)methyl]aniline

CAS: 1082828-01-0

Formula: C13H12FN

SMILES: NC1=CC=C(CC2=CC(F)=CC=C2)C=C1

IUPAC: 4-[(3-fluorophenyl)methyl]aniline

InChI: InChI=1S/C13H12FN/c14-12-3-1-2-11(9-12)8-10-4-6-13(15)7-5-10/h1-7,9H,8,15H2

Composition: C (77.59%), H (6.01%), F (9.44%), N (6.96%)

Molar Mass: 201.244

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 201.095377553
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MHQFWNVGTWPLLS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.71
Topological Polar Surface Area 26.02
Polarizability 22.48
Ring Count 2
Rotatable Bond Count 2

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