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1-chloro-5-fluoroisoquinoline

1-chloro-5-fluoroisoquinoline

CAS: 435278-02-7

Formula: C9H5ClFN

SMILES: FC1=CC=CC2=C(Cl)N=CC=C12

IUPAC: 1-chloro-5-fluoroisoquinoline

InChI: InChI=1S/C9H5ClFN/c10-9-7-2-1-3-8(11)6(7)4-5-12-9/h1-5H

Composition: C (59.53%), H (2.78%), Cl (19.52%), F (10.46%), N (7.71%)

Molar Mass: 181.59

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 181.009455
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HPKPOKQSRYDGAM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.43
Topological Polar Surface Area 12.89
Polarizability 18.52
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 435278-02-7 $23.38-$230.95$23.38$57.97$230.95
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Purity LeadTime CAS PacketSize UnitPrice
96% <5 Days 435278-02-7 $162.67-$677.16$162.67$242.11$677.16
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 435278-02-7 $149.50-$2,530.00$149.50$179.40$243.80$373.75$632.50$2,530.00
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