2-Amino-3-chloro-5-fluorobenzoic Acid - CAS 1022961-12-1

Catalog:	BB000828
Product Name:	2-Amino-3-chloro-5-fluorobenzoic Acid
CAS:	1022961-12-1
Synonyms:	2-amino-3-chloro-5-fluorobenzoic acid; 2-amino-3-chloro-5-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3-chloro-5-fluorobenzoic acid
Description:	2-Amino-3-chloro-5-fluorobenzoic Acid (CAS# 1022961-12-1) is a useful research chemical.
Molecular Weight:	189.57
Molecular Formula:	C7H5ClFNO2
Canonical SMILES:	C1=C(C=C(C(=C1Cl)N)C(=O)O)F
InChI:	InChI=1S/C7H5ClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:	VVVXUPVSKDWTEH-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.34070

Publication Number	Title	Priority Date
WO-2020147525-A1	Preparation method for morpholinquinazoline compound and midbody thereof	20190116
EP-3059238-A1	Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof	20131016
EP-3059238-B1	Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof	20131016
US-2016244432-A1	Fused heterocyclic compound, preparation method therefor, pharmaceutcial composition, and uses thereof	20131016
US-9656996-B2	Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof	20131016

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9992843
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.9992843
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2