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1-(4-bromo-3-methylphenyl)ethanamine hydrochloride

1-(4-bromo-3-methylphenyl)ethanamine hydrochloride

CAS: 117520-24-8

Formula: C9H13BrClN

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

IUPAC: 1-(4-bromo-3-methylphenyl)ethan-1-amine hydrochloride

InChI: InChI=1/C9H12BrN.ClH/c1-6-5-8(7(2)11)3-4-9(6)10;/h3-5,7H,11H2,1-2H3;1H

Composition: C (43.14%), H (5.23%), Br (31.89%), Cl (14.15%), N (5.59%)

Molar Mass: 250.56

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.99199
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey SCQFKYGGAVQXAW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.61
Topological Polar Surface Area 26.02
Polarizability 20.01
Ring Count 1
Rotatable Bond Count 1

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