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(1S)-1-(4-bromo-3-fluorophenyl)ethanamine

(1S)-1-(4-bromo-3-fluorophenyl)ethanamine

CAS: 1241678-53-4

Formula: C8H9BrFN

SMILES: C[C@H](N)C1=CC(F)=C(Br)C=C1

IUPAC: (1S)-1-(4-bromo-3-fluorophenyl)ethan-1-amine

InChI: InChI=1S/C8H9BrFN/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1

Composition: C (44.06%), H (4.16%), Br (36.64%), F (8.71%), N (6.42%)

Molar Mass: 218.069

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 216.99024
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey LISQGUAIGJDDOK-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.79
Topological Polar Surface Area 26.02
Polarizability 18.06
Ring Count 1
Rotatable Bond Count 1

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