4-(2H-1,3-benzodioxol-5-yloxy)aniline

4-(2H-1,3-benzodioxol-5-yloxy)aniline

CAS: 117401-33-9

Formula: C13H11NO3

SMILES: NC1=CC=C(OC2=CC3=C(OCO3)C=C2)C=C1

IUPAC: 4-(2H-1,3-benzodioxol-5-yloxy)aniline

InChI: InChI=1S/C13H11NO3/c14-9-1-3-10(4-2-9)17-11-5-6-12-13(7-11)16-8-15-12/h1-7H,8,14H2

Composition: C (68.11%), H (4.84%), N (6.11%), O (20.94%)

Molar Mass: 229.235

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.073893218
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QPOCERUJLCNHEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.77
Topological Polar Surface Area	53.71
Polarizability	24.26
Ring Count	3
Rotatable Bond Count	2

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