3-Bromo-4-(methylsulfonyl)benzaldehyde - CAS 254878-96-1
Catalog: |
BB018926 |
Product Name: |
3-Bromo-4-(methylsulfonyl)benzaldehyde |
CAS: |
254878-96-1 |
Synonyms: |
3-bromo-4-methylsulfonylbenzaldehyde; 3-bromo-4-methylsulfonylbenzaldehyde |
IUPAC Name: | 3-bromo-4-methylsulfonylbenzaldehyde |
Description: | 3-Bromo-4-(methylsulfonyl)benzaldehyde (CAS# 254878-96-1) is a useful research chemical. |
Molecular Weight: | 263.11 |
Molecular Formula: | C8H7BrO3S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)C=O)Br |
InChI: | InChI=1S/C8H7BrO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
InChI Key: | VQVXLUIYQIQWLH-UHFFFAOYSA-N |
LogP: | 2.74590 |
Publication Number | Title | Priority Date |
AU-5039299-A | Substituted beta-diketones and their use | 19980701 |
AU-745338-B2 | Substituted beta-diketones and their use | 19980701 |
BG-64529-B1 | REPLACED BETA - DICOTES AND THEIR USE | 19980701 |
CA-2336300-A1 | Substituted .beta.-diketones and their use | 19980701 |
CZ-20004774-A3 | Substituted beta-diketones and their use | 19980701 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.92993 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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