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23097-87-2 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(phenylmethyl)-
CAS No: 23097-87-2 Catalog No: AG002M6J MDL No:
Product Description
Catalog Number:
AG002M6J
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(phenylmethyl)-
CAS Number:
23097-87-2
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
1-benzyl-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C10H9N3O3/c14-8-11-9(15)13(10(16)12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,14,15,16)
InChI Key:
RGWHWXCLWIRWMZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(=O)n1Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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