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141247-07-6 | Isoxazolo[4,3-c]quinoline, 3-methyl-4-phenyl-
CAS No: 141247-07-6 Catalog No: AG001G5S MDL No:
Product Description
Catalog Number:
AG001G5S
Chemical Name:
Isoxazolo[4,3-c]quinoline, 3-methyl-4-phenyl-
CAS Number:
141247-07-6
Molecular Formula:
C17H12N2O
Molecular Weight:
260.2900
IUPAC Name:
3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
InChI:
InChI=1S/C17H12N2O/c1-11-15-16(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17(15)19-20-11/h2-10H,1H3
InChI Key:
BWEXTNGFHQZWGW-UHFFFAOYSA-N
SMILES:
Cc1onc2c1c(nc1c2cccc1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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