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2-amino-5-(benzyloxy)-4-methoxybenzonitrile

2-amino-5-(benzyloxy)-4-methoxybenzonitrile

CAS: 192869-57-1

Formula: C15H14N2O2

SMILES: COC1=CC(N)=C(C=C1OCC1=CC=CC=C1)C#N

IUPAC: 2-amino-5-(benzyloxy)-4-methoxybenzonitrile

InChI: InChI=1S/C15H14N2O2/c1-18-14-8-13(17)12(9-16)7-15(14)19-10-11-5-3-2-4-6-11/h2-8H,10,17H2,1H3

Composition: C (70.85%), H (5.55%), N (11.02%), O (12.58%)

Molar Mass: 254.289

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.105527699
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QQMNPRIKROPMKZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.02
Topological Polar Surface Area 68.27
Polarizability 27.92
Ring Count 2
Rotatable Bond Count 4

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