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4-(benzyloxy)-3-chloroaniline

4-(benzyloxy)-3-chloroaniline

CAS: 59404-86-3

Formula: C13H12ClNO

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

IUPAC: 4-(benzyloxy)-3-chloroaniline

InChI: InChI=1S/C13H12ClNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2

Composition: C (66.81%), H (5.18%), Cl (15.17%), N (5.99%), O (6.85%)

Molar Mass: 233.7

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 233.0607417
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WOWKZTBVWKKGJV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.64
Topological Polar Surface Area 35.25
Polarizability 25.46
Ring Count 2
Rotatable Bond Count 3

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