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1-(6-chloro-2-fluoro-3-methylphenyl)methanamine

1-(6-chloro-2-fluoro-3-methylphenyl)methanamine

CAS: 261762-86-1

Formula: C8H9ClFN

SMILES: CC1=C(F)C(CN)=C(Cl)C=C1

IUPAC: 1-(6-chloro-2-fluoro-3-methylphenyl)methanamine

InChI: InChI=1S/C8H9ClFN/c1-5-2-3-7(9)6(4-11)8(5)10/h2-3H,4,11H2,1H3

Composition: C (55.35%), H (5.23%), Cl (20.42%), F (10.94%), N (8.07%)

Molar Mass: 173.62

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.0407552
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DVMQLADOLJGLSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.59
Topological Polar Surface Area 26.02
Polarizability 17.01
Ring Count 1
Rotatable Bond Count 1

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