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1613751-69-1 | Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-chloro-
CAS No: 1613751-69-1 Catalog No: AG001SEW MDL No:MFCD29060177
Product Description
Catalog Number:
AG001SEW
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-chloro-
CAS Number:
1613751-69-1
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
MDL Number:
MFCD29060177
IUPAC Name:
2-chloro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C6H4ClN3O/c7-6-8-5(11)4-2-1-3-10(4)9-6/h1-3H,(H,8,9,11)
InChI Key:
FWRBBSRLGVCMIR-UHFFFAOYSA-N
SMILES:
Clc1nc(=O)c2n([nH]1)ccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.568g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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