200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 138840-56-9
138840-56-9 | 1,3-Benzodioxole-4-carboxaldehyde, 5-bromo-6-methoxy-2-methyl-
CAS No: 138840-56-9 Catalog No: AG007LIR MDL No:
Product Description
Catalog Number:
AG007LIR
Chemical Name:
1,3-Benzodioxole-4-carboxaldehyde, 5-bromo-6-methoxy-2-methyl-
CAS Number:
138840-56-9
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C10H9BrO4/c1-5-14-8-3-7(13-2)9(11)6(4-12)10(8)15-5/h3-5H,1-2H3
InChI Key:
ZQMDMPFOMROCQP-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)c(OC)cc2c1OC(O2)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.