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138579-59-6 | Tridecanoyl chloride, 13,13,13-trichloro-2,12,12-trimethyl-
CAS No: 138579-59-6 Catalog No: AG0018RV MDL No:
Product Description
Catalog Number:
AG0018RV
Chemical Name:
Tridecanoyl chloride, 13,13,13-trichloro-2,12,12-trimethyl-
CAS Number:
138579-59-6
Molecular Formula:
C16H28Cl4O
Molecular Weight:
378.2049
IUPAC Name:
13,13,13-trichloro-2,12,12-trimethyltridecanoyl chloride
InChI:
InChI=1S/C16H28Cl4O/c1-13(14(17)21)11-9-7-5-4-6-8-10-12-15(2,3)16(18,19)20/h13H,4-12H2,1-3H3
InChI Key:
VBSJOSJIYCYSSB-UHFFFAOYSA-N
SMILES:
CC(C(=O)Cl)CCCCCCCCCC(C(Cl)(Cl)Cl)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.199g/mol
Monoisotopic Mass:
376.089g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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