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1099636-21-1 | Ethyl 3-(2-bromo-4-chloro-phenoxy)propanoate
CAS No: 1099636-21-1 Catalog No: AG01FAJO MDL No:
Product Description
Catalog Number:
AG01FAJO
Chemical Name:
Ethyl 3-(2-bromo-4-chloro-phenoxy)propanoate
CAS Number:
1099636-21-1
Molecular Formula:
C11H12BrClO3
Molecular Weight:
307.5682
IUPAC Name:
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
InChI:
InChI=1S/C11H12BrClO3/c1-2-15-11(14)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChI Key:
WPOVXXKCERJHML-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc(cc1Br)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.568g/mol
Monoisotopic Mass:
305.966g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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