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20037-36-9 | Acetic acid, 2-(4-bromo-2-formyl-6-methoxyphenoxy)-, ethyl ester
CAS No: 20037-36-9 Catalog No: AG002CQA MDL No:MFCD00127396
Product Description
Catalog Number:
AG002CQA
Chemical Name:
Acetic acid, 2-(4-bromo-2-formyl-6-methoxyphenoxy)-, ethyl ester
CAS Number:
20037-36-9
Molecular Formula:
C12H13BrO5
Molecular Weight:
317.1326
MDL Number:
MFCD00127396
IUPAC Name:
ethyl 2-(4-bromo-2-formyl-6-methoxyphenoxy)acetate
InChI:
InChI=1S/C12H13BrO5/c1-3-17-11(15)7-18-12-8(6-14)4-9(13)5-10(12)16-2/h4-6H,3,7H2,1-2H3
InChI Key:
CDFJGOAIKJRSEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1c(OC)cc(cc1C=O)Br
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.135g/mol
Monoisotopic Mass:
315.995g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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