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88347-11-9 | 8-Quinolinecarbonitrile, 3-chloro-7-[(1-methylethyl)amino]-
CAS No: 88347-11-9 Catalog No: AG0046F4 MDL No:
Product Description
Catalog Number:
AG0046F4
Chemical Name:
8-Quinolinecarbonitrile, 3-chloro-7-[(1-methylethyl)amino]-
CAS Number:
88347-11-9
Molecular Formula:
C13H12ClN3
Molecular Weight:
245.7075
IUPAC Name:
3-chloro-7-(propan-2-ylamino)quinoline-8-carbonitrile
InChI:
InChI=1S/C13H12ClN3/c1-8(2)17-12-4-3-9-5-10(14)7-16-13(9)11(12)6-15/h3-5,7-8,17H,1-2H3
InChI Key:
YYHZWRSXHGYELC-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc2c1ncc(c2)Cl)NC(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.71g/mol
Monoisotopic Mass:
245.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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