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19734-06-6 | 1H-2,3-Benzoxazine, 1,1,4-triphenyl-
CAS No: 19734-06-6 Catalog No: AG002AQY MDL No:
Product Description
Catalog Number:
AG002AQY
Chemical Name:
1H-2,3-Benzoxazine, 1,1,4-triphenyl-
CAS Number:
19734-06-6
Molecular Formula:
C26H19NO
Molecular Weight:
361.4352
IUPAC Name:
1,1,4-triphenyl-2,3-benzoxazine
InChI:
InChI=1S/C26H19NO/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(28-27-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChI Key:
QJBAUMMVPZGLNO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOC(c2c1cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.444g/mol
Monoisotopic Mass:
361.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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