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88529-86-6 | 1H-1,2,3-Triazole-4-methanol, 1-(triphenylmethyl)-
CAS No: 88529-86-6 Catalog No: AG0046RC MDL No:
Product Description
Catalog Number:
AG0046RC
Chemical Name:
1H-1,2,3-Triazole-4-methanol, 1-(triphenylmethyl)-
CAS Number:
88529-86-6
Molecular Formula:
C22H19N3O
Molecular Weight:
341.4058
IUPAC Name:
(1-trityltriazol-4-yl)methanol
InChI:
InChI=1S/C22H19N3O/c26-17-21-16-25(24-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,26H,17H2
InChI Key:
HTVHTRWLBOLTDS-UHFFFAOYSA-N
SMILES:
OCc1nnn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.414g/mol
Monoisotopic Mass:
341.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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