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149517-92-0 | Ethyl 4-bromo-3,5-diethoxybenzoate
CAS No: 149517-92-0 Catalog No: AG001LS5 MDL No:MFCD11977359
Product Description
Catalog Number:
AG001LS5
Chemical Name:
Ethyl 4-bromo-3,5-diethoxybenzoate
CAS Number:
149517-92-0
Molecular Formula:
C13H17BrO4
Molecular Weight:
317.1757
MDL Number:
MFCD11977359
IUPAC Name:
ethyl 4-bromo-3,5-diethoxybenzoate
InChI:
InChI=1S/C13H17BrO4/c1-4-16-10-7-9(13(15)18-6-3)8-11(12(10)14)17-5-2/h7-8H,4-6H2,1-3H3
InChI Key:
XSUFUYMALAOLHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OCC)c(c(c1)OCC)Br
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.179g/mol
Monoisotopic Mass:
316.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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