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13337-75-2 | 4-Quinolinecarbonitrile, 7-chloro-
CAS No: 13337-75-2 Catalog No: AG0014RC MDL No:
Product Description
Catalog Number:
AG0014RC
Chemical Name:
4-Quinolinecarbonitrile, 7-chloro-
CAS Number:
13337-75-2
Molecular Formula:
C10H5ClN2
Molecular Weight:
188.6131
IUPAC Name:
7-chloroquinoline-4-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-8-1-2-9-7(6-12)3-4-13-10(9)5-8/h1-5H
InChI Key:
QXTKFPVERGJTBN-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1ccc(c2)Cl
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:
2.7
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