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80272-06-6 | 3-(3,4-Dichlorophenyl)-3-phenylpropionic acid
CAS No: 80272-06-6 Catalog No: AG005428 MDL No:MFCD09889764
Product Description
Catalog Number:
AG005428
Chemical Name:
3-(3,4-Dichlorophenyl)-3-phenylpropionic acid
CAS Number:
80272-06-6
Molecular Formula:
C15H12Cl2O2
Molecular Weight:
295.1606
MDL Number:
MFCD09889764
IUPAC Name:
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
InChI:
InChI=1S/C15H12Cl2O2/c16-13-7-6-11(8-14(13)17)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)
InChI Key:
JRHMQMLBHSQASA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)Cl)Cl)c1ccccc1
EC Number:
279-433-4
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.159g/mol
Monoisotopic Mass:
294.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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