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157245-87-9 | Butanoic acid, 4-(4-bromophenoxy)-, ethyl ester
CAS No: 157245-87-9 Catalog No: AG001PBN MDL No:MFCD22381258
Product Description
Catalog Number:
AG001PBN
Chemical Name:
Butanoic acid, 4-(4-bromophenoxy)-, ethyl ester
CAS Number:
157245-87-9
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD22381258
IUPAC Name:
ethyl 4-(4-bromophenoxy)butanoate
InChI:
InChI=1S/C12H15BrO3/c1-2-15-12(14)4-3-9-16-11-7-5-10(13)6-8-11/h5-8H,2-4,9H2,1H3
InChI Key:
QYSNTPAUIDBKKV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1)Br
Properties
Complexity:
200
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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