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89185-81-9 | 2,4-Pentanedione, 3-(4-chlorophenyl)-
CAS No: 89185-81-9 Catalog No: AG003W0F MDL No:
Product Description
Catalog Number:
AG003W0F
Chemical Name:
2,4-Pentanedione, 3-(4-chlorophenyl)-
CAS Number:
89185-81-9
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
3-(4-chlorophenyl)pentane-2,4-dione
InChI:
InChI=1S/C11H11ClO2/c1-7(13)11(8(2)14)9-3-5-10(12)6-4-9/h3-6,11H,1-2H3
InChI Key:
NHEHCIPXCWKLBA-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccc(cc1)Cl)C(=O)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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