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88347-06-2 | 8-Quinolinecarbonitrile, 3-chloro-7-(4-morpholinyl)-
CAS No: 88347-06-2 Catalog No: AG0046F6 MDL No:
Product Description
Catalog Number:
AG0046F6
Chemical Name:
8-Quinolinecarbonitrile, 3-chloro-7-(4-morpholinyl)-
CAS Number:
88347-06-2
Molecular Formula:
C14H12ClN3O
Molecular Weight:
273.7176
IUPAC Name:
3-chloro-7-morpholin-4-ylquinoline-8-carbonitrile
InChI:
InChI=1S/C14H12ClN3O/c15-11-7-10-1-2-13(18-3-5-19-6-4-18)12(8-16)14(10)17-9-11/h1-2,7,9H,3-6H2
InChI Key:
OSTNQNBROGOMJV-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc2c1ncc(c2)Cl)N1CCOCC1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.72g/mol
Monoisotopic Mass:
273.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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