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848133-87-9 | 6-AMINO-4-CHLORO-7-ETHOXYQUINOLINE-3-CARBONITRILE
CAS No: 848133-87-9 Catalog No: AG004QXB MDL No:
Product Description
Catalog Number:
AG004QXB
Chemical Name:
6-AMINO-4-CHLORO-7-ETHOXYQUINOLINE-3-CARBONITRILE
CAS Number:
848133-87-9
Molecular Formula:
C12H10ClN3O
Molecular Weight:
247.6803
IUPAC Name:
6-amino-4-chloro-7-ethoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C12H10ClN3O/c1-2-17-11-4-10-8(3-9(11)15)12(13)7(5-14)6-16-10/h3-4,6H,2,15H2,1H3
InChI Key:
WJPAKTRTDVKOKR-UHFFFAOYSA-N
SMILES:
CCOc1cc2ncc(c(c2cc1N)Cl)C#N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.682g/mol
Monoisotopic Mass:
247.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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