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2092702-94-6 | 2-hydroxy-2-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}acetonitrile
CAS No: 2092702-94-6 Catalog No: AG01FLBX MDL No:
Product Description
Catalog Number:
AG01FLBX
Chemical Name:
2-hydroxy-2-{pyrrolo[2,1-f][1,2,4]triazin-5-yl}acetonitrile
CAS Number:
2092702-94-6
IUPAC Name:
2-hydroxy-2-pyrrolo[2,1-f][1,2,4]triazin-5-ylacetonitrile
InChI:
InChI=1S/C8H6N4O/c9-3-8(13)6-1-2-12-7(6)4-10-5-11-12/h1-2,4-5,8,13H
InChI Key:
OMJODDDZFPDAEO-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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