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94248-99-4 | 6-METHYLPYRIDAZIN-3(2H)-ONE HBR
CAS No: 94248-99-4 Catalog No: AG003NAX MDL No:MFCD16620340
Product Description
Catalog Number:
AG003NAX
Chemical Name:
6-METHYLPYRIDAZIN-3(2H)-ONE HBR
CAS Number:
94248-99-4
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
MDL Number:
MFCD16620340
IUPAC Name:
3-methyl-1H-pyridazin-6-one;hydrobromide
InChI:
InChI=1S/C5H6N2O.BrH/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H
InChI Key:
REHDHXORJFGFPO-UHFFFAOYSA-N
SMILES:
Cc1ccc(=O)[nH]n1.Br
EC Number:
304-375-4
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
2
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:
0
Undefined Bond Stereocenter Count:
0
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