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Home > Bromides > 1443338-03-1
1443338-03-1 | Ethyl 5-(2-bromo-4-chloro-phenoxy)pentanoate
CAS No: 1443338-03-1 Catalog No: AG01FAPK MDL No:
Product Description
Catalog Number:
AG01FAPK
Chemical Name:
Ethyl 5-(2-bromo-4-chloro-phenoxy)pentanoate
CAS Number:
1443338-03-1
Molecular Formula:
C13H16BrClO3
Molecular Weight:
335.6213
IUPAC Name:
ethyl 5-(2-bromo-4-chlorophenoxy)pentanoate
InChI:
InChI=1S/C13H16BrClO3/c1-2-17-13(16)5-3-4-8-18-12-7-6-10(15)9-11(12)14/h6-7,9H,2-5,8H2,1H3
InChI Key:
UFWHRDXLPIYJKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(cc1Br)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.622g/mol
Monoisotopic Mass:
333.997g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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