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3336-43-4 | 1-Chloroisoquinolin-4-ol
CAS No: 3336-43-4 Catalog No: AG003E8N MDL No:MFCD03425941
Product Description
Catalog Number:
AG003E8N
Chemical Name:
1-Chloroisoquinolin-4-ol
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 |
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