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(1S,2S)-2-Fluorocyclopropanecarboxylic Acid

(1S,2S)-2-Fluorocyclopropanecarboxylic Acid - CAS 127199-14-8

Catalog:	BB006743
Product Name:	(1S,2S)-2-Fluorocyclopropanecarboxylic Acid
CAS:	127199-14-8
Synonyms:	(1S,2S)-2-fluoro-1-cyclopropanecarboxylic acid; (1S,2S)-2-fluorocyclopropane-1-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	(1S,2S)-2-fluorocyclopropane-1-carboxylic acid
Description:	(1S,2S)-2-Fluorocyclopropanecarboxylic Acid (CAS# 127199-14-8) is a useful research chemical.
Molecular Weight:	104.08
Molecular Formula:	C4H5FO2
Canonical SMILES:	C1C(C1F)C(=O)O
InChI:	InChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m1/s1
InChI Key:	HZQKMZGKYVDMCT-GBXIJSLDSA-N
LogP:	0.42900

Publication Number	Title	Priority Date
CN-113493386-A	Novel high-selectivity asymmetric synthesis process of 2-fluorocyclopropylamine	20200408
WO-2021065898-A1	Azepan derivative	20190930
WO-2021032209-A1	Anti-influenza virus compound, preparation method and use thereof	20190822
CN-111892592-A	JAK kinase inhibitors and uses thereof	20190806
WO-2021023207-A1	Jak kinase inhibitor and use thereof	20190806

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	104.02735756
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	104.02735756
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3