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Home > Bromides > 1260810-61-4
1260810-61-4 | 2(1H)-Pyrazinone, 3-bromo-5-methyl-
CAS No: 1260810-61-4 Catalog No: AG000RCU MDL No:
Product Description
Catalog Number:
AG000RCU
Chemical Name:
2(1H)-Pyrazinone, 3-bromo-5-methyl-
CAS Number:
1260810-61-4
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
IUPAC Name:
3-bromo-5-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C5H5BrN2O/c1-3-2-7-5(9)4(6)8-3/h2H,1H3,(H,7,9)
InChI Key:
JBLGBOZCFLXPBV-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(=O)c(n1)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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