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1018616-74-4 | Quinoline, 2-chloro-8-methyl-3-phenyl-
CAS No: 1018616-74-4 Catalog No: AG0005SG MDL No:
Product Description
Catalog Number:
AG0005SG
Chemical Name:
Quinoline, 2-chloro-8-methyl-3-phenyl-
CAS Number:
1018616-74-4
Molecular Formula:
C16H12ClN
Molecular Weight:
253.7262
IUPAC Name:
2-chloro-8-methyl-3-phenylquinoline
InChI:
InChI=1S/C16H12ClN/c1-11-6-5-9-13-10-14(16(17)18-15(11)13)12-7-3-2-4-8-12/h2-10H,1H3
InChI Key:
KQGMUTUDGACDQP-UHFFFAOYSA-N
SMILES:
Clc1nc2c(cc1c1ccccc1)cccc2C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.729g/mol
Monoisotopic Mass:
253.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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