200,000+ products from a single source!
sales@angenechem.com
18152-79-9 | 2H-Pyran-5-carboxylic acid, 3-bromo-4,6-dimethyl-2-oxo-, ethyl ester
CAS No: 18152-79-9 Catalog No: AG0022YA MDL No:MFCD00023863
Product Description
Catalog Number:
AG0022YA
Chemical Name:
2H-Pyran-5-carboxylic acid, 3-bromo-4,6-dimethyl-2-oxo-, ethyl ester
CAS Number:
18152-79-9
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
MDL Number:
MFCD00023863
IUPAC Name:
ethyl 5-bromo-2,4-dimethyl-6-oxopyran-3-carboxylate
InChI:
InChI=1S/C10H11BrO4/c1-4-14-9(12)7-5(2)8(11)10(13)15-6(7)3/h4H2,1-3H3
InChI Key:
YMOPMHLWTLUFGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)oc(=O)c(c1C)Br
NSC Number:
139997
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.