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Home > Bromides > 1269293-23-3
1269293-23-3 | 4(3H)-Pyrimidinone, 6-(bromomethyl)-2-(trifluoromethyl)-
CAS No: 1269293-23-3 Catalog No: AG000WDJ MDL No:
Product Description
Catalog Number:
AG000WDJ
Chemical Name:
4(3H)-Pyrimidinone, 6-(bromomethyl)-2-(trifluoromethyl)-
CAS Number:
1269293-23-3
Molecular Formula:
C6H4BrF3N2O
Molecular Weight:
257.0080
IUPAC Name:
4-(bromomethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H4BrF3N2O/c7-2-3-1-4(13)12-5(11-3)6(8,9)10/h1H,2H2,(H,11,12,13)
InChI Key:
KRGMOWBDZJIOPZ-UHFFFAOYSA-N
SMILES:
BrCc1cc(=O)[nH]c(n1)C(F)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.01g/mol
Monoisotopic Mass:
255.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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