3-Bromo-4-(methylsulfonyl)benzaldehyde - CAS 254878-96-1

Name: 3-Bromo-4-(methylsulfonyl)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018926
Product Name:	3-Bromo-4-(methylsulfonyl)benzaldehyde
CAS:	254878-96-1
Synonyms:	3-bromo-4-methylsulfonylbenzaldehyde; 3-bromo-4-methylsulfonylbenzaldehyde

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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