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Home > Bromides > 1413285-68-3
1413285-68-3 | Ethanone, 1-(5-bromo-4-methyl-2-pyridinyl)-
CAS No: 1413285-68-3 Catalog No: AG001G7C MDL No:MFCD27981362
Product Description
Catalog Number:
AG001G7C
Chemical Name:
Ethanone, 1-(5-bromo-4-methyl-2-pyridinyl)-
CAS Number:
1413285-68-3
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
MDL Number:
MFCD27981362
IUPAC Name:
1-(5-bromo-4-methylpyridin-2-yl)ethanone
InChI:
InChI=1S/C8H8BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4H,1-2H3
InChI Key:
IZQZLUANDRPXSO-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc(c(c1)C)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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