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80982-62-3 | 2-Pentanol,1,1,1-trichloro-, 2-acetate
CAS No: 80982-62-3 Catalog No: AG0056MN MDL No:
Product Description
Catalog Number:
AG0056MN
Chemical Name:
2-Pentanol,1,1,1-trichloro-, 2-acetate
CAS Number:
80982-62-3
Molecular Formula:
C7H11Cl3O2
Molecular Weight:
233.5200
IUPAC Name:
1,1,1-trichloropentan-2-yl acetate
InChI:
InChI=1S/C7H11Cl3O2/c1-3-4-6(7(8,9)10)12-5(2)11/h6H,3-4H2,1-2H3
InChI Key:
GDKFQJCNNANHST-UHFFFAOYSA-N
SMILES:
CCCC(C(Cl)(Cl)Cl)OC(=O)C
NSC Number:
158357
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.513g/mol
Monoisotopic Mass:
231.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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