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130745-77-6 | 2,4-Pentanedione, 3,3-bis[(4-chlorophenyl)methyl]-
CAS No: 130745-77-6 Catalog No: AG000UWW MDL No:MFCD01814863
Product Description
Catalog Number:
AG000UWW
Chemical Name:
2,4-Pentanedione, 3,3-bis[(4-chlorophenyl)methyl]-
CAS Number:
130745-77-6
Molecular Formula:
C19H18Cl2O2
Molecular Weight:
349.2510
MDL Number:
MFCD01814863
IUPAC Name:
3,3-bis[(4-chlorophenyl)methyl]pentane-2,4-dione
InChI:
InChI=1S/C19H18Cl2O2/c1-13(22)19(14(2)23,11-15-3-7-17(20)8-4-15)12-16-5-9-18(21)10-6-16/h3-10H,11-12H2,1-2H3
InChI Key:
BWARYGHRIRQXMS-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.251g/mol
Monoisotopic Mass:
348.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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