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3-(difluoromethoxy)-2-fluoroaniline

3-(difluoromethoxy)-2-fluoroaniline

CAS: 1261498-41-2

Formula: C7H6F3NO

SMILES: NC1=CC=CC(OC(F)F)=C1F

IUPAC: 3-(difluoromethoxy)-2-fluoroaniline

InChI: InChI=1S/C7H6F3NO/c8-6-4(11)2-1-3-5(6)12-7(9)10/h1-3,7H,11H2

Composition: C (47.47%), H (3.41%), F (32.18%), N (7.91%), O (9.03%)

Molar Mass: 177.126

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.040148306
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CZRZXNSXNQBBCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.45
Topological Polar Surface Area 35.25
Polarizability 13.42
Ring Count 1
Rotatable Bond Count 2

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