4-(benzyloxy)-3-fluoroaniline hydrochloride

4-(benzyloxy)-3-fluoroaniline hydrochloride

CAS: 76243-25-9

Formula: C13H13ClFNO

SMILES: Cl.NC1=CC(F)=C(OCC2=CC=CC=C2)C=C1

IUPAC: 4-(benzyloxy)-3-fluoroaniline hydrochloride

InChI: InChI=1S/C13H12FNO.ClH/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;1H

Composition: C (61.55%), H (5.17%), Cl (13.97%), F (7.49%), N (5.52%), O (6.31%)

Molar Mass: 253.7

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	253.0669699
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GWWCZRDLDLFAIR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.05
Topological Polar Surface Area	35.25
Polarizability	23.22
Ring Count	2
Rotatable Bond Count	3

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