2-(4-Fluorophenyl)-3-methylbutyric Acid - CAS 51632-33-8

Name: 2-(4-Fluorophenyl)-3-methylbutyric Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027525
Product Name:	2-(4-Fluorophenyl)-3-methylbutyric Acid
CAS:	51632-33-8
Synonyms:	2-(4-fluorophenyl)-3-methylbutanoic acid; 2-(4-fluorophenyl)-3-methylbutanoic acid

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Computed Properties

IUPAC Name:	2-(4-fluorophenyl)-3-methylbutanoic acid
Description:	2-(4-Fluorophenyl)-3-methylbutyric Acid (CAS# 51632-33-8) is a useful research chemical.
Molecular Weight:	196.22
Molecular Formula:	C11H13FO2
Canonical SMILES:	CC(C)C(C1=CC=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
InChI Key:	YBQLHBYGMUXCEW-UHFFFAOYSA-N
Boiling Point:	283.871 °C at 760 mmHg
Density:	1.143 g/cm³
LogP:	2.64990

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2015233642-A1	2,7-diazaspiro[3.5]nonane compounds	20140317
CN-106103439-A	2,7 diaza spiros [3.5] nonane compound	20140317
CN-106103439-B	2,7- diaza spiro [3.5] nonane compound	20140317
DK-3119782-T3	2,7-diazaspiro [3.5] NONANFORBINDELSER	20140317
EP-3119782-A1	2,7-diazaspiro[3.5]nonane compounds	20140317

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.08995782
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.08995782
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9