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Home > Bromides > 1006876-77-2
1006876-77-2 | 2(1H)-Pyrimidinone, 6-(3-bromophenyl)-4-phenyl-
CAS No: 1006876-77-2 Catalog No: AG0002MN MDL No:
Product Description
Catalog Number:
AG0002MN
Chemical Name:
2(1H)-Pyrimidinone, 6-(3-bromophenyl)-4-phenyl-
CAS Number:
1006876-77-2
Molecular Formula:
C16H11BrN2O
Molecular Weight:
327.1753
IUPAC Name:
4-(3-bromophenyl)-6-phenyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C16H11BrN2O/c17-13-8-4-7-12(9-13)15-10-14(18-16(20)19-15)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChI Key:
CZHNHUWVZANKOA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1[nH]c(=O)nc(c1)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.181g/mol
Monoisotopic Mass:
326.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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