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3-benzyloxyaniline

3-benzyloxyaniline

CAS: 1484-26-0

Formula: C13H13NO

SMILES: NC1=CC=CC(OCC2=CC=CC=C2)=C1

IUPAC: 3-(benzyloxy)aniline

InChI: InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2

Composition: C (78.36%), H (6.58%), N (7.03%), O (8.03%)

Molar Mass: 199.253

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 199.099714043
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IGPFOKFDBICQMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.83
Topological Polar Surface Area 35.25
Polarizability 23.61
Ring Count 2
Rotatable Bond Count 3

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