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113683-21-9 | Butanoic acid, 2-bromo-4,4,4-trichloro-2-methyl-, ethenyl ester
CAS No: 113683-21-9 Catalog No: AG0009AS MDL No:
Product Description
Catalog Number:
AG0009AS
Chemical Name:
Butanoic acid, 2-bromo-4,4,4-trichloro-2-methyl-, ethenyl ester
CAS Number:
113683-21-9
Molecular Formula:
C7H8BrCl3O2
Molecular Weight:
310.4002
IUPAC Name:
ethenyl 2-bromo-4,4,4-trichloro-2-methylbutanoate
InChI:
InChI=1S/C7H8BrCl3O2/c1-3-13-5(12)6(2,8)4-7(9,10)11/h3H,1,4H2,2H3
InChI Key:
GKJIDYZDPAETKI-UHFFFAOYSA-N
SMILES:
C=COC(=O)C(CC(Cl)(Cl)Cl)(Br)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.877g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.393g/mol
Monoisotopic Mass:
307.877g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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