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174909-11-6 | Benzoic acid, 2-(2-bromoethoxy)-, ethyl ester
CAS No: 174909-11-6 Catalog No: AG002023 MDL No:MFCD10574795
Product Description
Catalog Number:
AG002023
Chemical Name:
Benzoic acid, 2-(2-bromoethoxy)-, ethyl ester
CAS Number:
174909-11-6
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD10574795
IUPAC Name:
ethyl 2-(2-bromoethoxy)benzoate
InChI:
InChI=1S/C11H13BrO3/c1-2-14-11(13)9-5-3-4-6-10(9)15-8-7-12/h3-6H,2,7-8H2,1H3
InChI Key:
CFOPLYVFYXLIRK-UHFFFAOYSA-N
SMILES:
BrCCOc1ccccc1C(=O)OCC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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