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Home > Imidazoles > 94704-05-9
94704-05-9 | 2H-1,4-Benzoxazin-3(4H)-one, 6-(3-methylimidazo[1,2-a]pyridin-2-yl)-
CAS No: 94704-05-9 Catalog No: AG00697T MDL No:
Product Description
Catalog Number:
AG00697T
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-(3-methylimidazo[1,2-a]pyridin-2-yl)-
CAS Number:
94704-05-9
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
6-(3-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C16H13N3O2/c1-10-16(18-14-4-2-3-7-19(10)14)11-5-6-13-12(8-11)17-15(20)9-21-13/h2-8H,9H2,1H3,(H,17,20)
InChI Key:
BISGMIAUNVHJBA-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)c1nc2n(c1C)cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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