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Home > Bromides > 1443322-96-0
1443322-96-0 | Ethyl 4-(2-bromo-4-chloro-phenoxy)butanoate
CAS No: 1443322-96-0 Catalog No: AG01FAZY MDL No:
Product Description
Catalog Number:
AG01FAZY
Chemical Name:
Ethyl 4-(2-bromo-4-chloro-phenoxy)butanoate
CAS Number:
1443322-96-0
Molecular Formula:
C12H14BrClO3
Molecular Weight:
321.5948
IUPAC Name:
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
InChI:
InChI=1S/C12H14BrClO3/c1-2-16-12(15)4-3-7-17-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChI Key:
XLSPKOPCVNKVRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1Br)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.981g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.595g/mol
Monoisotopic Mass:
319.981g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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