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90-17-5 | 2,2,2-Trichloro-1-phenylethyl acetate
CAS No: 90-17-5 Catalog No: AG003VFG MDL No:MFCD00000804
Product Description
Catalog Number:
AG003VFG
Chemical Name:
2,2,2-Trichloro-1-phenylethyl acetate
CAS Number:
90-17-5
Molecular Formula:
C10H9Cl3O2
Molecular Weight:
267.5363
MDL Number:
MFCD00000804
IUPAC Name:
(2,2,2-trichloro-1-phenylethyl) acetate
InChI:
InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
InChI Key:
JKRWZLOCPLZZEI-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1
EC Number:
201-972-0
NSC Number:
165582
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.967g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.53g/mol
Monoisotopic Mass:
265.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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