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80200-01-7 | Phenol, 4-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-
CAS No: 80200-01-7 Catalog No: AG005CAR MDL No:
Product Description
Catalog Number:
AG005CAR
Chemical Name:
Phenol, 4-[2-(1H-1,2,4-triazol-1-yl)ethoxy]-
CAS Number:
80200-01-7
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
4-[2-(1,2,4-triazol-1-yl)ethoxy]phenol
InChI:
InChI=1S/C10H11N3O2/c14-9-1-3-10(4-2-9)15-6-5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2
InChI Key:
LDXPZPCRYAUZDE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OCCn1ncnc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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