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77711-19-4 | 2-bromoethyl trichloroacetate
CAS No: 77711-19-4 Catalog No: AG005GJ8 MDL No:
Product Description
Catalog Number:
AG005GJ8
Chemical Name:
2-bromoethyl trichloroacetate
CAS Number:
77711-19-4
Molecular Formula:
C4H4BrCl3O2
Molecular Weight:
270.3364
IUPAC Name:
2-bromoethyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C4H4BrCl3O2/c5-1-2-10-3(9)4(6,7)8/h1-2H2
InChI Key:
TXRVTZLEDNFMHM-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)C(Cl)(Cl)Cl
NSC Number:
50964
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.846g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
267.846g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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