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19818-44-1 | 1,2,4-Benzotriazine, 1,2-dihydro-1,3-diphenyl-
CAS No: 19818-44-1 Catalog No: AG002BC8 MDL No:
Product Description
Catalog Number:
AG002BC8
Chemical Name:
1,2,4-Benzotriazine, 1,2-dihydro-1,3-diphenyl-
CAS Number:
19818-44-1
Molecular Formula:
C19H15N3
Molecular Weight:
285.3425
IUPAC Name:
1,3-diphenyl-2H-1,2,4-benzotriazine
InChI:
InChI=1S/C19H15N3/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)22(21-19)16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChI Key:
QRTIVTJLSSIFBN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2ccccc2n([nH]1)c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.35g/mol
Monoisotopic Mass:
285.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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