2-Chloro-5-methoxybenzoic Acid - CAS 6280-89-3

Catalog:	BB031817
Product Name:	2-Chloro-5-methoxybenzoic Acid
CAS:	6280-89-3
Synonyms:	2-chloro-5-methoxybenzoic acid; 2-chloro-5-methoxybenzoic acid

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Computed Properties

IUPAC Name:	2-chloro-5-methoxybenzoic acid
Description:	2-Chloro-5-methoxybenzoic Acid (CAS# 6280-89-3) is a useful research chemical.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	COC1=CC(=C(C=C1)Cl)C(=O)O
InChI:	InChI=1S/C8H7ClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	AQHFCRYZABKUEV-UHFFFAOYSA-N
Boiling Point:	318.1 °C at 760 mmHg
Density:	1.352 g/cm³
Appearance:	Solid
MDL:	MFCD00466261
LogP:	2.04680

Publication Number	Title	Priority Date
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
CN-110229114-A	One kind removing C2The chiral double oxazoline ligands of symmetry hexichol amine type and its synthetic method and application	20190531
WO-2020238559-A1	De-c2-symmetric diphenylamine-type chiral bisoxazoline ligand, synthesis method therefor and use thereof	20190531
WO-2020037350-A1	Adamantanyl-substituted benzamide compounds and their use as p2x7 receptor antagonists	20180824
US-2021323910-A1	Adamantanyl-substituted benzamide compounds and their use as p2x7 receptor antagonists	20180824

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GHS Hazard Statement:	H302 (11.11%): 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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2