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2-(2-chloro-5-methylphenoxy)-5-fluoroaniline

2-(2-chloro-5-methylphenoxy)-5-fluoroaniline

CAS: 946729-37-9

Formula: C13H11ClFNO

SMILES: CC1=CC(OC2=C(N)C=C(F)C=C2)=C(Cl)C=C1

IUPAC: 2-(2-chloro-5-methylphenoxy)-5-fluoroaniline

InChI: InChI=1S/C13H11ClFNO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3

Composition: C (62.04%), H (4.41%), Cl (14.09%), F (7.55%), N (5.57%), O (6.36%)

Molar Mass: 251.69

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.0513198
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AGXCFKQGSRXMRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.06
Topological Polar Surface Area 35.25
Polarizability 25.12
Ring Count 2
Rotatable Bond Count 2

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