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1233179-29-7 | 6-bromo-2-sulfanylidene-1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS No: 1233179-29-7 Catalog No: AG01FLCB MDL No:
Product Description
Catalog Number:
AG01FLCB
Chemical Name:
6-bromo-2-sulfanylidene-1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS Number:
1233179-29-7
IUPAC Name:
6-bromo-2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C6H4BrN3OS/c7-3-1-4-5(11)8-6(12)9-10(4)2-3/h1-2H,(H2,8,9,11,12)
InChI Key:
CYYROEUHMXIRCX-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.082g/mol
Monoisotopic Mass:
244.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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