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30866-55-8 | Benzenepropanoic acid, 2-chloro-α-[(2-chlorophenyl)methyl]-α-phenyl-, ethyl ester (9CI)
CAS No: 30866-55-8 Catalog No: AG0031IE MDL No:
Product Description
Catalog Number:
AG0031IE
Chemical Name:
Benzenepropanoic acid, 2-chloro-α-[(2-chlorophenyl)methyl]-α-phenyl-, ethyl ester (9CI)
CAS Number:
30866-55-8
Molecular Formula:
C24H22Cl2O2
Molecular Weight:
413.3363
IUPAC Name:
ethyl 3-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]-2-phenylpropanoate
InChI:
InChI=1S/C24H22Cl2O2/c1-2-28-23(27)24(20-12-4-3-5-13-20,16-18-10-6-8-14-21(18)25)17-19-11-7-9-15-22(19)26/h3-15H,2,16-17H2,1H3
InChI Key:
YHHCTQVMKSQNLK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)(Cc1ccccc1Cl)Cc1ccccc1Cl
NSC Number:
129380
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.338g/mol
Monoisotopic Mass:
412.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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