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4-bromo-1-chloro-3-methylisoquinoline

4-bromo-1-chloro-3-methylisoquinoline

CAS: 869898-11-3

Formula: C10H7BrClN

SMILES: CC1=C(Br)C2=CC=CC=C2C(Cl)=N1

IUPAC: 4-bromo-1-chloro-3-methylisoquinoline

InChI: InChI=1S/C10H7BrClN/c1-6-9(11)7-4-2-3-5-8(7)10(12)13-6/h2-5H,1H3

Composition: C (46.82%), H (2.75%), Br (31.15%), Cl (13.82%), N (5.46%)

Molar Mass: 256.53

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.94504
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AJDDBYWICPGLDJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.43
Topological Polar Surface Area 12.89
Polarizability 23.36
Ring Count 2
Rotatable Bond Count 0

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96% <2 Days 869898-11-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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