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100047-56-1 | 2(1H)-Pyrazinone, 5-bromo-3-methyl-
CAS No: 100047-56-1 Catalog No: AG0000OL MDL No:MFCD22548397
Product Description
Catalog Number:
AG0000OL
Chemical Name:
2(1H)-Pyrazinone, 5-bromo-3-methyl-
CAS Number:
100047-56-1
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD22548397
IUPAC Name:
5-bromo-3-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChI Key:
RNHAEGVBHQSLFS-UHFFFAOYSA-N
SMILES:
Cc1nc(Br)c[nH]c1=O
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:
0.2
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