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139553-33-6 | [1,1'-Biphenyl]-2,2'-dipropanoic acid, 3,3'-dichloro-
CAS No: 139553-33-6 Catalog No: AG001B9M MDL No:
Product Description
Catalog Number:
AG001B9M
Chemical Name:
[1,1'-Biphenyl]-2,2'-dipropanoic acid, 3,3'-dichloro-
CAS Number:
139553-33-6
Molecular Formula:
C18H16Cl2O4
Molecular Weight:
367.2232
IUPAC Name:
3-[2-[2-(2-carboxyethyl)-3-chlorophenyl]-6-chlorophenyl]propanoic acid
InChI:
InChI=1S/C18H16Cl2O4/c19-15-5-1-3-11(13(15)7-9-17(21)22)12-4-2-6-16(20)14(12)8-10-18(23)24/h1-6H,7-10H2,(H,21,22)(H,23,24)
InChI Key:
BCUVZYLFOBVVHY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(Cl)cccc1c1cccc(c1CCC(=O)O)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.222g/mol
Monoisotopic Mass:
366.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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