2-Fluoro-4-(methylsulfonyl)benzaldehyde - CAS 1197193-11-5

Catalog:	BB004588
Product Name:	2-Fluoro-4-(methylsulfonyl)benzaldehyde
CAS:	1197193-11-5
Synonyms:	2-fluoro-4-methylsulfonylbenzaldehyde; 2-fluoro-4-methylsulfonylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-4-methylsulfonylbenzaldehyde
Description:	2-Fluoro-4-(methylsulfonyl)benzaldehyde (CAS# 1197193-11-5) is a useful research chemical.
Molecular Weight:	202.20
Molecular Formula:	C8H7FO3S
Canonical SMILES:	CS(=O)(=O)C1=CC(=C(C=C1)C=O)F
InChI:	InChI=1S/C8H7FO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key:	LXWRYLZWVVZZCM-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.12250

Publication Number	Title	Priority Date
US-2019322658-A1	Antiproliferation compounds and uses thereof	20180424
WO-2019209759-A1	Antiproliferation compounds and uses thereof	20180424
AU-2019261308-A1	Antiproliferation compounds and uses thereof	20180424
TW-202012400-A	Anti-proliferative compounds and their uses	20180424
US-10815225-B2	Antiproliferation compounds and uses thereof	20180424

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.00999342
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.00999342
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7