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Home > Bromides > 1319158-63-8
1319158-63-8 | Ethanone, 2-bromo-1-[6-(3,4-dichlorophenyl)-4-pyrimidinyl]-
CAS No: 1319158-63-8 Catalog No: AG000ZWM MDL No:
Product Description
Catalog Number:
AG000ZWM
Chemical Name:
Ethanone, 2-bromo-1-[6-(3,4-dichlorophenyl)-4-pyrimidinyl]-
CAS Number:
1319158-63-8
Molecular Formula:
C12H7BrCl2N2O
Molecular Weight:
346.0068
IUPAC Name:
2-bromo-1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]ethanone
InChI:
InChI=1S/C12H7BrCl2N2O/c13-5-12(18)11-4-10(16-6-17-11)7-1-2-8(14)9(15)3-7/h1-4,6H,5H2
InChI Key:
UHVOCCANCVLNAH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ncnc(c1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.912g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.005g/mol
Monoisotopic Mass:
343.912g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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