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85562-83-0 | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-bis(phenylmethyl)-
CAS No: 85562-83-0 Catalog No: AG004UH2 MDL No:
Product Description
Catalog Number:
AG004UH2
Chemical Name:
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-bis(phenylmethyl)-
CAS Number:
85562-83-0
Molecular Formula:
C16H15N3O
Molecular Weight:
265.3098
IUPAC Name:
3,4-dibenzyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C16H15N3O/c20-16-18-17-15(11-13-7-3-1-4-8-13)19(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)
InChI Key:
UQSQZZHDKUGQEW-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(n1Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.316g/mol
Monoisotopic Mass:
265.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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