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89430-65-9 | Carbonic acid, 3-chloro-4'-octyl[1,1'-biphenyl]-4-yl hexyl ester
CAS No: 89430-65-9 Catalog No: AG00443Q MDL No:
Product Description
Catalog Number:
AG00443Q
Chemical Name:
Carbonic acid, 3-chloro-4'-octyl[1,1'-biphenyl]-4-yl hexyl ester
CAS Number:
89430-65-9
Molecular Formula:
C27H37ClO3
Molecular Weight:
445.0339
IUPAC Name:
[2-chloro-4-(4-octylphenyl)phenyl] hexyl carbonate
InChI:
InChI=1S/C27H37ClO3/c1-3-5-7-9-10-11-13-22-14-16-23(17-15-22)24-18-19-26(25(28)21-24)31-27(29)30-20-12-8-6-4-2/h14-19,21H,3-13,20H2,1-2H3
InChI Key:
MGYWMMXOBVLJJL-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)c1ccc(c(c1)Cl)OC(=O)OCCCCCC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.243g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.04g/mol
Monoisotopic Mass:
444.243g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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