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113966-13-5 | 2-Butenoic acid, 2-acetyl-4,4,4-trichloro-, 1-methylethyl ester
CAS No: 113966-13-5 Catalog No: AG000A6F MDL No:
Product Description
Catalog Number:
AG000A6F
Chemical Name:
2-Butenoic acid, 2-acetyl-4,4,4-trichloro-, 1-methylethyl ester
CAS Number:
113966-13-5
Molecular Formula:
C9H11Cl3O3
Molecular Weight:
273.5408
IUPAC Name:
propan-2-yl 2-acetyl-4,4,4-trichlorobut-2-enoate
InChI:
InChI=1S/C9H11Cl3O3/c1-5(2)15-8(14)7(6(3)13)4-9(10,11)12/h4-5H,1-3H3
InChI Key:
MUPDJIMHORDAMW-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(=CC(Cl)(Cl)Cl)C(=O)C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.534g/mol
Monoisotopic Mass:
271.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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