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180606-52-4 | 4(3H)-Pyrimidinone, 2-(4-bromophenyl)-6-methyl-
CAS No: 180606-52-4 Catalog No: AG00225J MDL No:MFCD00697484
Product Description
Catalog Number:
AG00225J
Chemical Name:
4(3H)-Pyrimidinone, 2-(4-bromophenyl)-6-methyl-
CAS Number:
180606-52-4
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
MDL Number:
MFCD00697484
IUPAC Name:
2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H9BrN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChI Key:
UUMPRRJUFLDOCE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(C)cc(=O)[nH]1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.99g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.11g/mol
Monoisotopic Mass:
263.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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