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88038-38-4 | 1-Propanone, 3-bromo-1-(4-pyridinyl)-
CAS No: 88038-38-4 Catalog No: AG004N1H MDL No:
Product Description
Catalog Number:
AG004N1H
Chemical Name:
1-Propanone, 3-bromo-1-(4-pyridinyl)-
CAS Number:
88038-38-4
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
IUPAC Name:
3-bromo-1-pyridin-4-ylpropan-1-one
InChI:
InChI=1S/C8H8BrNO/c9-4-1-8(11)7-2-5-10-6-3-7/h2-3,5-6H,1,4H2
InChI Key:
MLKWAVVMBQQLGW-UHFFFAOYSA-N
SMILES:
BrCCC(=O)c1ccncc1
Properties
Complexity:
132
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:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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