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21943-15-7 | 3,5-dibromo-2(1H)-Pyrazinone
CAS No: 21943-15-7 Catalog No: AG003IKW MDL No:MFCD18373952
Product Description
Catalog Number:
AG003IKW
Chemical Name:
3,5-dibromo-2(1H)-Pyrazinone
CAS Number:
21943-15-7
Molecular Formula:
C4H2Br2N2O
Molecular Weight:
253.8795
MDL Number:
MFCD18373952
IUPAC Name:
3,5-dibromo-1H-pyrazin-2-one
InChI:
InChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)
InChI Key:
NHVGHXUOFWEOSN-UHFFFAOYSA-N
SMILES:
Brc1nc(Br)c[nH]c1=O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.851g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.881g/mol
Monoisotopic Mass:
251.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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