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88236-24-2 | 1H-1,2,3-Triazole-4-methanol, 1-[2-(2-hydroxyphenyl)-4-pyrimidinyl]-
CAS No: 88236-24-2 Catalog No: AG004CWU MDL No:
Product Description
Catalog Number:
AG004CWU
Chemical Name:
1H-1,2,3-Triazole-4-methanol, 1-[2-(2-hydroxyphenyl)-4-pyrimidinyl]-
CAS Number:
88236-24-2
Molecular Formula:
C13H11N5O2
Molecular Weight:
269.2587
IUPAC Name:
2-[4-[4-(hydroxymethyl)triazol-1-yl]pyrimidin-2-yl]phenol
InChI:
InChI=1S/C13H11N5O2/c19-8-9-7-18(17-16-9)12-5-6-14-13(15-12)10-3-1-2-4-11(10)20/h1-7,19-20H,8H2
InChI Key:
OLDCRXIRKVTEFV-UHFFFAOYSA-N
SMILES:
OCc1nnn(c1)c1ccnc(n1)c1ccccc1O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.264g/mol
Monoisotopic Mass:
269.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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