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128486-09-9 | 1,3-Butanedione, 1-(3-chlorophenyl)-
CAS No: 128486-09-9 Catalog No: AG000Y4R MDL No:MFCD07772929
Product Description
Catalog Number:
AG000Y4R
Chemical Name:
1,3-Butanedione, 1-(3-chlorophenyl)-
CAS Number:
128486-09-9
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD07772929
IUPAC Name:
1-(3-chlorophenyl)butane-1,3-dione
InChI:
InChI=1S/C10H9ClO2/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3
InChI Key:
NAVKHJDRCGTULV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1cccc(c1)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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