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17667-32-2 | Benzoic acid, 2-bromo-4,5-dimethoxy-, methyl ester
CAS No: 17667-32-2 Catalog No: AG0024TX MDL No:MFCD00017182
Product Description
Catalog Number:
AG0024TX
Chemical Name:
Benzoic acid, 2-bromo-4,5-dimethoxy-, methyl ester
CAS Number:
17667-32-2
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
MDL Number:
MFCD00017182
IUPAC Name:
methyl 2-bromo-4,5-dimethoxybenzoate
InChI:
InChI=1S/C10H11BrO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3
InChI Key:
BCUHOZBMHZWCGL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1Br)OC
Properties
Complexity:
222
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:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis of phthalide derivatives using nickel-catalyzed cyclization of o-haloesters with aldehydes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040621 |
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