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157245-84-6 | Ethyl 4-(3-bromophenoxy)butanoate
CAS No: 157245-84-6 Catalog No: AG01FEHQ MDL No:MFCD20483435
Product Description
Catalog Number:
AG01FEHQ
Chemical Name:
Ethyl 4-(3-bromophenoxy)butanoate
CAS Number:
157245-84-6
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD20483435
IUPAC Name:
ethyl 4-(3-bromophenoxy)butanoate
InChI:
InChI=1S/C12H15BrO3/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3
InChI Key:
SUJPEDFHTBQFKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cccc(c1)Br
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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