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89430-59-1 | Carbonic acid, 3-chloro-4'-hexyl[1,1'-biphenyl]-4-yl pentyl ester
CAS No: 89430-59-1 Catalog No: AG004629 MDL No:
Product Description
Catalog Number:
AG004629
Chemical Name:
Carbonic acid, 3-chloro-4'-hexyl[1,1'-biphenyl]-4-yl pentyl ester
CAS Number:
89430-59-1
Molecular Formula:
C24H31ClO3
Molecular Weight:
402.9541
IUPAC Name:
[2-chloro-4-(4-hexylphenyl)phenyl] pentyl carbonate
InChI:
InChI=1S/C24H31ClO3/c1-3-5-7-8-10-19-11-13-20(14-12-19)21-15-16-23(22(25)18-21)28-24(26)27-17-9-6-4-2/h11-16,18H,3-10,17H2,1-2H3
InChI Key:
JWVIAIXHBIWNMS-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)Oc1ccc(cc1Cl)c1ccc(cc1)CCCCCC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.196g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.959g/mol
Monoisotopic Mass:
402.196g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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