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3-(difluoromethyl)-4-fluoroaniline

3-(difluoromethyl)-4-fluoroaniline

CAS: 445303-96-8

Formula: C7H6F3N

SMILES: NC1=CC=C(F)C(=C1)C(F)F

IUPAC: 3-(difluoromethyl)-4-fluoroaniline

InChI: InChI=1S/C7H6F3N/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7H,11H2

Composition: C (52.18%), H (3.75%), F (35.37%), N (8.69%)

Molar Mass: 161.127

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.045233686
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey IFWSBTBYKXRINT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.06
Topological Polar Surface Area 26.02
Polarizability 12.63
Ring Count 1
Rotatable Bond Count 1

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98.31% <7 Days 445303-96-8 $67.32-$1,341.73$67.32$268.35$1,341.73
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