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80018-20-8 | Phenol,4-chloro-2-[(2-chlorophenyl)(tetradecylimino)methyl]-
CAS No: 80018-20-8 Catalog No: AG005DRU MDL No:
Product Description
Catalog Number:
AG005DRU
Chemical Name:
Phenol,4-chloro-2-[(2-chlorophenyl)(tetradecylimino)methyl]-
CAS Number:
80018-20-8
Molecular Formula:
C27H37Cl2NO
Molecular Weight:
462.4948
IUPAC Name:
4-chloro-2-[C-(2-chlorophenyl)-N-tetradecylcarbonimidoyl]phenol
InChI:
InChI=1S/C27H37Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-30-27(23-16-13-14-17-25(23)29)24-21-22(28)18-19-26(24)31/h13-14,16-19,21,31H,2-12,15,20H2,1H3
InChI Key:
QTZXDNFBRYRCHV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN/C(=C/1\C=C(Cl)C=CC1=O)/c1ccccc1Cl
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.225g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.499g/mol
Monoisotopic Mass:
461.225g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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