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1500-98-7 | 2-Quinoxalineethanol, α-(trichloromethyl)-
CAS No: 1500-98-7 Catalog No: AG001M7O MDL No:
Product Description
Catalog Number:
AG001M7O
Chemical Name:
2-Quinoxalineethanol, α-(trichloromethyl)-
CAS Number:
1500-98-7
Molecular Formula:
C11H9Cl3N2O
Molecular Weight:
291.5610
IUPAC Name:
1,1,1-trichloro-3-quinoxalin-2-ylpropan-2-ol
InChI:
InChI=1S/C11H9Cl3N2O/c12-11(13,14)10(17)5-7-6-15-8-3-1-2-4-9(8)16-7/h1-4,6,10,17H,5H2
InChI Key:
VTFZZTFUGRFXHX-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)Cc1cnc2c(n1)cccc2
NSC Number:
86893
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.978g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.556g/mol
Monoisotopic Mass:
289.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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