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Home > Bromides > 1269291-22-6
1269291-22-6 | 4(3H)-Pyrimidinone, 6-(bromomethyl)-
CAS No: 1269291-22-6 Catalog No: AG000TI7 MDL No:
Product Description
Catalog Number:
AG000TI7
Chemical Name:
4(3H)-Pyrimidinone, 6-(bromomethyl)-
CAS Number:
1269291-22-6
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
IUPAC Name:
4-(bromomethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5BrN2O/c6-2-4-1-5(9)8-3-7-4/h1,3H,2H2,(H,7,8,9)
InChI Key:
IVXZRMBGDXKOHW-UHFFFAOYSA-N
SMILES:
BrCc1cc(=O)[nH]cn1
Properties
Complexity:
185
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:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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