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Home > Bromides > 1240622-70-1
1240622-70-1 | 4(3H)-Pyrimidinone, 5-bromo-6-methyl-2-(2-pyridinyl)-
CAS No: 1240622-70-1 Catalog No: AG000LII MDL No:
Product Description
Catalog Number:
AG000LII
Chemical Name:
4(3H)-Pyrimidinone, 5-bromo-6-methyl-2-(2-pyridinyl)-
CAS Number:
1240622-70-1
Molecular Formula:
C10H8BrN3O
Molecular Weight:
266.0940
IUPAC Name:
5-bromo-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H8BrN3O/c1-6-8(11)10(15)14-9(13-6)7-4-2-3-5-12-7/h2-5H,1H3,(H,13,14,15)
InChI Key:
ZSTIEYQTFMHUQQ-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c(=O)c1Br)c1ccccn1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.098g/mol
Monoisotopic Mass:
264.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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