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89095-36-3 | 3(2H)-Pyridazinone, 4-bromo-4,5-dihydro-6-methyl-
CAS No: 89095-36-3 Catalog No: AG0040F5 MDL No:
Product Description
Catalog Number:
AG0040F5
Chemical Name:
3(2H)-Pyridazinone, 4-bromo-4,5-dihydro-6-methyl-
CAS Number:
89095-36-3
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
IUPAC Name:
5-bromo-3-methyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C5H7BrN2O/c1-3-2-4(6)5(9)8-7-3/h4H,2H2,1H3,(H,8,9)
InChI Key:
SEXBVIMNZJKXEY-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CC1Br)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.028g/mol
Monoisotopic Mass:
189.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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