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4-(difluoromethoxy)-2-methylaniline hydrochloride

4-(difluoromethoxy)-2-methylaniline hydrochloride

CAS: 1185175-00-1

Formula: C8H10ClF2NO

SMILES: Cl.CC1=CC(OC(F)F)=CC=C1N

IUPAC: 4-(difluoromethoxy)-2-methylaniline hydrochloride

InChI: InChI=1S/C8H9F2NO.ClH/c1-5-4-6(12-8(9)10)2-3-7(5)11;/h2-4,8H,11H2,1H3;1H

Composition: C (45.84%), H (4.81%), Cl (16.91%), F (18.13%), N (6.68%), O (7.63%)

Molar Mass: 209.62

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.041898
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JMIZIPJVYDPKMW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.27
Topological Polar Surface Area 35.25
Polarizability 15.28
Ring Count 1
Rotatable Bond Count 2

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Crea-Chim UAB
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