2-(4-Fluorophenyl)propanoic Acid - CAS 75908-73-5

Catalog:	BB035439
Product Name:	2-(4-Fluorophenyl)propanoic Acid
CAS:	75908-73-5
Synonyms:	2-(4-fluorophenyl)propanoic acid; 2-(4-fluorophenyl)propanoic acid

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Computed Properties

IUPAC Name:	2-(4-fluorophenyl)propanoic acid
Description:	2-(4-Fluorophenyl)propanoic Acid (CAS# 75908-73-5) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC(C1=CC=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
InChI Key:	IXSCGBODJGIJNN-UHFFFAOYSA-N
Boiling Point:	258.8 °C at 760 mmHg
Density:	1.215 g/cm³
MDL:	MFCD00054492
LogP:	2.01380

Publication Number	Title	Priority Date
CN-112321475-A	Gamma-amino acid analogue and synthetic method thereof	20201113
CN-111423435-A	(1H-imidazo [4,5-b ] pyridin-6-yl) pyridine derivatives and uses thereof	20200330
CN-111423435-B	(1H-imidazo [4,5-b ] pyridin-6-yl) pyridine derivatives and uses thereof	20200330
CN-112682031-A	Oil field interwell tracer, tracing method and fracturing fluid	20191018
WO-2020212594-A1	Novel formulations comprising melflufen	20190417

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2