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4-chloroisoquinolin-1-amine

4-chloroisoquinolin-1-amine

CAS: 30598-04-0

Formula: C9H7ClN2

SMILES: NC1=NC=C(Cl)C2=CC=CC=C12

IUPAC: 4-chloroisoquinolin-1-amine

InChI: InChI=1S/C9H7ClN2/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H,(H2,11,12)

Composition: C (60.52%), H (3.95%), Cl (19.85%), N (15.68%)

Molar Mass: 178.62

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 178.0297759
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AFKQABNNIRMZSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.17
Topological Polar Surface Area 38.91
Polarizability 19.95
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 30598-04-0 $175.78-$576.90$175.78$253.39$576.90
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95% <7 Days 30598-04-0 $112.82-$508.19$112.82$189.41$508.19
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 30598-04-0 $96.60-$439.30$96.60$164.45$439.30
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 30598-04-0 $163.93-$680.94$163.93$261.03$680.94
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