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115514-66-4 | Pyridazine, 4-bromo-
CAS No: 115514-66-4 Catalog No: AG000G3Y MDL No:MFCD08690718
Product Description
Catalog Number:
AG000G3Y
Chemical Name:
Pyridazine, 4-bromo-
CAS Number:
115514-66-4
Molecular Formula:
C4H3BrN2
Molecular Weight:
158.9840
MDL Number:
MFCD08690718
IUPAC Name:
4-bromopyridazine
InChI:
InChI=1S/C4H3BrN2/c5-4-1-2-6-7-3-4/h1-3H
InChI Key:
BZJSAOCTEXRSME-UHFFFAOYSA-N
SMILES:
Brc1ccnnc1
EC Number:
601-370-1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.948g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.986g/mol
Monoisotopic Mass:
157.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Use of 4-bromo pyridazine 3,6-dione for building 3-amino pyridazine libraries. | Molecular diversity 20060801 |
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