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1260664-41-2 | 6-Isoquinolinecarbonitrile, 1-chloro-
CAS No: 1260664-41-2 Catalog No: AG000QZF MDL No:MFCD18250894
Product Description
Catalog Number:
AG000QZF
Chemical Name:
6-Isoquinolinecarbonitrile, 1-chloro-
CAS Number:
1260664-41-2
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD18250894
IUPAC Name:
1-chloroisoquinoline-6-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-10-9-2-1-7(6-12)5-8(9)3-4-13-10/h1-5H
InChI Key:
PEGDRHQYGZULLT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccnc2Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.614g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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