3-(difluoromethoxy)-4-methoxyaniline hydrochloride

3-(difluoromethoxy)-4-methoxyaniline hydrochloride

CAS: 1431962-33-2

Formula: C8H10ClF2NO2

SMILES: Cl.COC1=CC=C(N)C=C1OC(F)F

IUPAC: 3-(difluoromethoxy)-4-methoxyaniline hydrochloride

InChI: InChI=1S/C8H9F2NO2.ClH/c1-12-6-3-2-5(11)4-7(6)13-8(9)10;/h2-4,8H,11H2,1H3;1H

Composition: C (42.59%), H (4.47%), Cl (15.71%), F (16.84%), N (6.21%), O (14.18%)

Molar Mass: 225.62

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.0368126
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XHFWGVHWPZJXGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.69
Topological Polar Surface Area	44.48
Polarizability	16.11
Ring Count	1
Rotatable Bond Count	3

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Kinentia Biosciences LLC

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