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(1S)-1-(2-bromophenyl)ethanamine hydrochloride

(1S)-1-(2-bromophenyl)ethanamine hydrochloride

CAS: 1187931-26-5

Formula: C8H11BrClN

SMILES: Cl[H].C[C@H](N)C1=CC=CC=C1Br

IUPAC: (1S)-1-(2-bromophenyl)ethan-1-amine hydrochloride

InChI: InChI=1S/C8H10BrN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m0./s1

Composition: C (40.62%), H (4.69%), Br (33.78%), Cl (14.99%), N (5.92%)

Molar Mass: 236.54

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 234.97634
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MPTGUFFHOKLEFK-RGMNGODLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.57
Topological Polar Surface Area 26.02
Polarizability 18.25
Ring Count 1
Rotatable Bond Count 1

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