3-Bromo-4-(4-methyl-1-piperazinyl)benzaldehyde - CAS 443777-03-5
Catalog: |
BB025582 |
Product Name: |
3-Bromo-4-(4-methyl-1-piperazinyl)benzaldehyde |
CAS: |
443777-03-5 |
Synonyms: |
3-bromo-4-(4-methyl-1-piperazinyl)benzaldehyde; 3-bromo-4-(4-methylpiperazin-1-yl)benzaldehyde |
IUPAC Name: | 3-bromo-4-(4-methylpiperazin-1-yl)benzaldehyde |
Description: | 3-Bromo-4-(4-methyl-1-piperazinyl)benzaldehyde (CAS# 443777-03-5) is a useful research chemical. |
Molecular Weight: | 283.16 |
Molecular Formula: | C12H15BrN2O |
Canonical SMILES: | CN1CCN(CC1)C2=C(C=C(C=C2)C=O)Br |
InChI: | InChI=1S/C12H15BrN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8-9H,4-7H2,1H3 |
InChI Key: | SBYCBJFPQHUWDY-UHFFFAOYSA-N |
LogP: | 2.01630 |
Publication Number | Title | Priority Date |
EP-1506157-A2 | Amino-functional chalcones | 20020517 |
EP-1506158-A2 | Diamino-functional chalcones | 20020517 |
EP-1515940-A2 | Aminoalkoxy-functional chalcones | 20020517 |
US-7642367-B2 | Diamino-functional chalcones | 20020517 |
WO-03097576-A2 | Diamino-functional chalcones | 20020517 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.03678 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.03678 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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