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81474-47-7 | 6-BROMO-7-METHOXY-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS No: 81474-47-7 Catalog No: AG005KJG MDL No:
Product Description
Catalog Number:
AG005KJG
Chemical Name:
6-BROMO-7-METHOXY-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER
CAS Number:
81474-47-7
Molecular Formula:
C10H9BrO5
Molecular Weight:
289.0795
IUPAC Name:
methyl 6-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C10H9BrO5/c1-13-9-7(11)5(10(12)14-2)3-6-8(9)16-4-15-6/h3H,4H2,1-2H3
InChI Key:
HEVFTQCHIUGKGA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2OCOc2c(c1Br)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.963g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.081g/mol
Monoisotopic Mass:
287.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Methyl 6-bromo-7-meth-oxy-1,3-benzodioxole-5-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080801 |
| [The structures and characteristic infrared spectra of beta-DDB and its derivatives]. | Guang pu xue yu guang pu fen xi = Guang pu 20010401 |
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