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101774-33-8 | 4-Isoquinolinol, 3-chloro-
CAS No: 101774-33-8 Catalog No: AG0005GH MDL No:MFCD11846288
Product Description
Catalog Number:
AG0005GH
Chemical Name:
4-Isoquinolinol, 3-chloro-
CAS Number:
101774-33-8
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD11846288
IUPAC Name:
3-chloroisoquinolin-4-ol
InChI:
InChI=1S/C9H6ClNO/c10-9-8(12)7-4-2-1-3-6(7)5-11-9/h1-5,12H
InChI Key:
HLMAYSDUIAOBQE-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1O)cccc2
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
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