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6948-30-7 | 3-Bromo-4,5-dimethoxybenzaldehyde
CAS No: 6948-30-7 Catalog No: AG003J19 MDL No:MFCD00003346
Product Description
Catalog Number:
AG003J19
Chemical Name:
3-Bromo-4,5-dimethoxybenzaldehyde
CAS Number:
6948-30-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD00003346
IUPAC Name:
3-bromo-4,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChI Key:
ICVODPFGWCUVJC-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OC)Br
EC Number:
230-113-2
NSC Number:
55757
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and anxiolytic activity of 1-phenyl-2-(4-aryl-1,3,4,5-tetrahydropyrido[2,3-b][1 ,4]diazepin-2-ylidene)-ethanone. | Die Pharmazie 20060601 |
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