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88236-25-3 | 1H-1,2,3-Triazole-4-methanol, 1-(6-phenyl-4-pyrimidinyl)-
CAS No: 88236-25-3 Catalog No: AG004AWG MDL No:
Product Description
Catalog Number:
AG004AWG
Chemical Name:
1H-1,2,3-Triazole-4-methanol, 1-(6-phenyl-4-pyrimidinyl)-
CAS Number:
88236-25-3
Molecular Formula:
C13H11N5O
Molecular Weight:
253.2593
IUPAC Name:
[1-(6-phenylpyrimidin-4-yl)triazol-4-yl]methanol
InChI:
InChI=1S/C13H11N5O/c19-8-11-7-18(17-16-11)13-6-12(14-9-15-13)10-4-2-1-3-5-10/h1-7,9,19H,8H2
InChI Key:
TWHSVLGPRWBPTB-UHFFFAOYSA-N
SMILES:
OCc1nnn(c1)c1ncnc(c1)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.265g/mol
Monoisotopic Mass:
253.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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