Home Other Building Blocks 1-Chloro-4-hydroxyisoquinoline

1-Chloro-4-hydroxyisoquinoline

CAS No.:
3336-43-4
Catalog Number:
AG003E8N
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$107
- +
1g
97%
1 week
United States
$288
- +
Product Description
Catalog Number:
AG003E8N
Chemical Name:
1-Chloro-4-hydroxyisoquinoline
CAS Number:
3336-43-4
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD03425941
IUPAC Name:
1-chloroisoquinolin-4-ol
InChI:
InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H
InChI Key:
JEVLGPVFFYUBRI-UHFFFAOYSA-N
SMILES:
Clc1ncc(c2c1cccc2)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Identification of low molecular weight carbohydrates employing new binary mixtures for matrix-assisted laser desorption/ionisation mass spectrometry. Rapid communications in mass spectrometry : RCM 20080701
Properties