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Home > Fluorides > 155347-36-7
155347-36-7 | 1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrate (1:1)
CAS No: 155347-36-7 Catalog No: AG001NUD MDL No:MFCD28127232
Product Description
Catalog Number:
AG001NUD
Chemical Name:
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrate (1:1)
CAS Number:
155347-36-7
Molecular Formula:
C13H14F2N6O2
Molecular Weight:
324.2861
MDL Number:
MFCD28127232
IUPAC Name:
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
InChI:
InChI=1S/C13H12F2N6O.H2O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21;/h1-3,6-9,22H,4-5H2;1H2
InChI Key:
QSZFKRINVAUJGQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn1)O.O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.292g/mol
Monoisotopic Mass:
324.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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