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Home > Bromides > 1194020-10-4
1194020-10-4 | 1-Propanone, 1-(6-bromo-3-pyridinyl)-
CAS No: 1194020-10-4 Catalog No: AG000IQ3 MDL No:
Product Description
Catalog Number:
AG000IQ3
Chemical Name:
1-Propanone, 1-(6-bromo-3-pyridinyl)-
CAS Number:
1194020-10-4
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
IUPAC Name:
1-(6-bromopyridin-3-yl)propan-1-one
InChI:
InChI=1S/C8H8BrNO/c1-2-7(11)6-3-4-8(9)10-5-6/h3-5H,2H2,1H3
InChI Key:
HBTLRVLXKVIDGN-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(nc1)Br
Properties
Complexity:
149
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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