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139042-59-4 | Ethanone, 1-(6-bromo-3-pyridinyl)-
CAS No: 139042-59-4 Catalog No: AG001A2X MDL No:MFCD07367876
Product Description
Catalog Number:
AG001A2X
Chemical Name:
Ethanone, 1-(6-bromo-3-pyridinyl)-
CAS Number:
139042-59-4
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD07367876
IUPAC Name:
1-(6-bromopyridin-3-yl)ethanone
InChI:
InChI=1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3
InChI Key:
MUKKGHQBUKOMTD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cn1)C(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.035g/mol
Monoisotopic Mass:
198.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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