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114628-87-4 | Ethanol, 2,2,2-trichloro-1-ethoxy-, 1-benzoate
CAS No: 114628-87-4 Catalog No: AG000EW9 MDL No:
Product Description
Catalog Number:
AG000EW9
Chemical Name:
Ethanol, 2,2,2-trichloro-1-ethoxy-, 1-benzoate
CAS Number:
114628-87-4
Molecular Formula:
C11H11Cl3O3
Molecular Weight:
297.5622
IUPAC Name:
benzoic acid;2,2,2-trichloro-1-ethoxyethanol
InChI:
InChI=1S/C7H6O2.C4H7Cl3O2/c8-7(9)6-4-2-1-3-5-6;1-2-9-3(8)4(5,6)7/h1-5H,(H,8,9);3,8H,2H2,1H3
InChI Key:
AQFUOPPGDRWCNV-UHFFFAOYSA-N
SMILES:
CCOC(C(Cl)(Cl)Cl)OC(=O)c1ccccc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.571g/mol
Monoisotopic Mass:
313.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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