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1256463-73-6 | 4-Isoquinolinecarbonitrile, 3-chloro-
CAS No: 1256463-73-6 Catalog No: AG000O97 MDL No:MFCD19688160
Product Description
Catalog Number:
AG000O97
Chemical Name:
4-Isoquinolinecarbonitrile, 3-chloro-
CAS Number:
1256463-73-6
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
MDL Number:
MFCD19688160
IUPAC Name:
3-chloroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-10-9(5-12)8-4-2-1-3-7(8)6-13-10/h1-4,6H
InChI Key:
RANLOZRLOLZWCX-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)ncc2c1cccc2
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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