200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 184898-42-8
184898-42-8 | 4H-1-Benzopyran-3-carboxaldehyde, 7-(acetyloxy)-6-bromo-4-oxo-
CAS No: 184898-42-8 Catalog No: AG007RV7 MDL No:
Product Description
Catalog Number:
AG007RV7
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 7-(acetyloxy)-6-bromo-4-oxo-
CAS Number:
184898-42-8
Molecular Formula:
C12H7BrO5
Molecular Weight:
311.0850
IUPAC Name:
(6-bromo-3-formyl-4-oxochromen-7-yl) acetate
InChI:
InChI=1S/C12H7BrO5/c1-6(15)18-11-3-10-8(2-9(11)13)12(16)7(4-14)5-17-10/h2-5H,1H3
InChI Key:
SNZTYTXGXZGZDS-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(c(c2)OC(=O)C)Br
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.087g/mol
Monoisotopic Mass:
309.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.