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825612-21-3 | Pyridine, 5-acetyl-1-(3-bromo-1-oxopropyl)-1,2,3,4-tetrahydro-
CAS No: 825612-21-3 Catalog No: AG004YOW MDL No:
Product Description
Catalog Number:
AG004YOW
Chemical Name:
Pyridine, 5-acetyl-1-(3-bromo-1-oxopropyl)-1,2,3,4-tetrahydro-
CAS Number:
825612-21-3
Molecular Formula:
C10H14BrNO2
Molecular Weight:
260.1277
IUPAC Name:
1-(5-acetyl-3,4-dihydro-2H-pyridin-1-yl)-3-bromopropan-1-one
InChI:
InChI=1S/C10H14BrNO2/c1-8(13)9-3-2-6-12(7-9)10(14)4-5-11/h7H,2-6H2,1H3
InChI Key:
XMKAZEQPVSJOBN-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CN(CCC1)C(=O)CCBr
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.131g/mol
Monoisotopic Mass:
259.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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