Text Search
Structure Search

6-tert-butyl-1-chloroisoquinoline

6-tert-butyl-1-chloroisoquinoline

Formula: C13H14ClN

SMILES: CC(C)(C)C1=CC2=CC=NC(Cl)=C2C=C1

IUPAC: 6-tert-butyl-1-chloroisoquinoline

InChI: InChI=1S/C13H14ClN/c1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14/h4-8H,1-3H3

Composition: C (71.07%), H (6.42%), Cl (16.13%), N (6.38%)

Molar Mass: 219.71

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 219.0814772
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NNIVIJZETJEDMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.88
Topological Polar Surface Area 12.89
Polarizability 26.2
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Struchem co.,ltd
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C13H14ClN $425.00-$1,800.00$425.00$1,220.00$1,800.00
Request Quote