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4-bromo-1-chloro-5,6,7,8-tetrahydroisoquinoline

4-bromo-1-chloro-5,6,7,8-tetrahydroisoquinoline

CAS: 1934468-86-6

Formula: C9H9BrClN

SMILES: ClC1=NC=C(Br)C2=C1CCCC2

IUPAC: 4-bromo-1-chloro-5,6,7,8-tetrahydroisoquinoline

InChI: InChI=1S/C9H9BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h5H,1-4H2

Composition: C (43.85%), H (3.68%), Br (32.41%), Cl (14.38%), N (5.68%)

Molar Mass: 246.53

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.96069
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LLQQCENFYKPBHW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.87
Topological Polar Surface Area 12.89
Polarizability 20.71
Ring Count 2
Rotatable Bond Count 0

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96% <2 Days 1934468-86-6 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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