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138814-07-0 | Octadecanoic acid, trichlorohydroxy- (9CI)
CAS No: 138814-07-0 Catalog No: AG0019N7 MDL No:
Product Description
Catalog Number:
AG0019N7
Chemical Name:
Octadecanoic acid, trichlorohydroxy- (9CI)
CAS Number:
138814-07-0
Molecular Formula:
C18H33Cl3O3
Molecular Weight:
403.8118
IUPAC Name:
2,2,3-trichloro-18-hydroxyoctadecanoic acid
InChI:
InChI=1S/C18H33Cl3O3/c19-16(18(20,21)17(23)24)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22/h16,22H,1-15H2,(H,23,24)
InChI Key:
PHOBZGUJVSCEDV-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCCCCCCCCCCCCCCC(Cl)(Cl)Cl)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.15g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.809g/mol
Monoisotopic Mass:
402.15g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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