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Home > Bromides > 1160994-75-1
1160994-75-1 | 4(3H)-Pyrimidinone, 2-bromo-
CAS No: 1160994-75-1 Catalog No: AG000BMV MDL No:
Product Description
Catalog Number:
AG000BMV
Chemical Name:
4(3H)-Pyrimidinone, 2-bromo-
CAS Number:
1160994-75-1
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
IUPAC Name:
2-bromo-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3BrN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
InChI Key:
PCXCYBRMVAQGAJ-UHFFFAOYSA-N
SMILES:
Brc1nccc(=O)[nH]1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.943g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.985g/mol
Monoisotopic Mass:
173.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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