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115127-23-6 | 1,2,4-Triazolo[4,3-b]pyridazine, 6-bromo-
CAS No: 115127-23-6 Catalog No: AG000GBB MDL No:MFCD28099580
Product Description
Catalog Number:
AG000GBB
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 6-bromo-
CAS Number:
115127-23-6
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
MDL Number:
MFCD28099580
IUPAC Name:
6-bromo-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C5H3BrN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
InChI Key:
PLKMDCDKXTVNBB-UHFFFAOYSA-N
SMILES:
Brc1ccc2n(n1)cnn2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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