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(1S)-1-(2-bromo-4-fluorophenyl)ethanamine hydrochloride

(1S)-1-(2-bromo-4-fluorophenyl)ethanamine hydrochloride

CAS: 1624261-91-1

Formula: C8H10BrClFN

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

IUPAC: (1S)-1-(2-bromo-4-fluorophenyl)ethan-1-amine hydrochloride

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

Composition: C (37.75%), H (3.96%), Br (31.39%), Cl (13.93%), F (7.46%), N (5.50%)

Molar Mass: 254.53

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 252.966918
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MMBXNJVKDHDORR-JEDNCBNOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.79
Topological Polar Surface Area 26.02
Polarizability 18.05
Ring Count 1
Rotatable Bond Count 1

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