2-(4-Fluorophenyl)-2-methylpropanoic Acid - CAS 93748-19-7

Catalog:	BB041058
Product Name:	2-(4-Fluorophenyl)-2-methylpropanoic Acid
CAS:	93748-19-7
Synonyms:	2-(4-fluorophenyl)-2-methylpropanoic acid; 2-(4-fluorophenyl)-2-methylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-fluorophenyl)-2-methylpropanoic acid
Description:	2-(4-Fluorophenyl)-2-methylpropanoic Acid (CAS# 93748-19-7) is a useful research chemical.
Molecular Weight:	182.19
Molecular Formula:	C10H11FO2
Canonical SMILES:	CC(C)(C1=CC=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)
InChI Key:	IOSAIRIBZLAABD-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11036916
LogP:	2.18790

Publication Number	Title	Priority Date
WO-2020138015-A1	Pyrazolo[1,5-a]pyrimidine macrocyclic compound	20181227
US-2020109141-A1	Amino acid compounds and methods of use	20181008
WO-2020076862-A1	Amino acid compounds and methods of use	20181008
CN-113195053-A	Amino acid compounds and methods of use	20181008
EP-3863711-A1	Amino acid compounds and methods of use	20181008

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Related Functional Groups

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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.07430775
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.07430775
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4