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1160995-45-8 | Pyrrolo[2,1-f][1,2,4]triazine, 2,4-dichloro-6-nitro-
CAS No: 1160995-45-8 Catalog No: AG000BMJ MDL No:MFCD12400797
Product Description
Catalog Number:
AG000BMJ
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine, 2,4-dichloro-6-nitro-
CAS Number:
1160995-45-8
Molecular Formula:
C6H2Cl2N4O2
Molecular Weight:
233.0117
MDL Number:
MFCD12400797
IUPAC Name:
2,4-dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine
InChI:
InChI=1S/C6H2Cl2N4O2/c7-5-4-1-3(12(13)14)2-11(4)10-6(8)9-5/h1-2H
InChI Key:
UILXDKCIJUPNOF-UHFFFAOYSA-N
SMILES:
Clc1nn2cc(cc2c(n1)Cl)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.008g/mol
Monoisotopic Mass:
231.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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