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21122-12-3 | Acetic acid, 2-bromo-, 2,4,5-trichlorophenyl ester
CAS No: 21122-12-3 Catalog No: AG002L8N MDL No:
Product Description
Catalog Number:
AG002L8N
Chemical Name:
Acetic acid, 2-bromo-, 2,4,5-trichlorophenyl ester
CAS Number:
21122-12-3
Molecular Formula:
C8H4BrCl3O2
Molecular Weight:
318.3792
IUPAC Name:
(2,4,5-trichlorophenyl) 2-bromoacetate
InChI:
InChI=1S/C8H4BrCl3O2/c9-3-8(13)14-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2
InChI Key:
MXCURNGYLCCVKO-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1OC(=O)CBr)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.846g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
315.846g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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