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Home > Bromides > 1199773-08-4
1199773-08-4 | 1-Butanone, 2-bromo-1-(2-pyridinyl)-
CAS No: 1199773-08-4 Catalog No: AG000PWK MDL No:MFCD13195772
Product Description
Catalog Number:
AG000PWK
Chemical Name:
1-Butanone, 2-bromo-1-(2-pyridinyl)-
CAS Number:
1199773-08-4
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
MDL Number:
MFCD13195772
IUPAC Name:
2-bromo-1-pyridin-2-ylbutan-1-one
InChI:
InChI=1S/C9H10BrNO/c1-2-7(10)9(12)8-5-3-4-6-11-8/h3-7H,2H2,1H3
InChI Key:
PMAMKVXETFDLHM-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccn1)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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