5-Chloroisophthalic Acid - CAS 2157-39-3

Name: 5-Chloroisophthalic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016973
Product Name:	5-Chloroisophthalic Acid
CAS:	2157-39-3
Synonyms:	5-chlorobenzene-1,3-dicarboxylic acid; 5-chlorobenzene-1,3-dicarboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chlorobenzene-1,3-dicarboxylic acid
Description:	5-Chloroisophthalic Acid (CAS# 2157-39-3) is a useful research chemical.
Molecular Weight:	200.58
Molecular Formula:	C8H5ClO4
Canonical SMILES:	C1=C(C=C(C=C1C(=O)O)Cl)C(=O)O
InChI:	InChI=1S/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:	PLPFTLXIQQYOMW-UHFFFAOYSA-N
Boiling Point:	424.5 °C at 760 mmHg
Density:	1.586 g/cm³
LogP:	1.73640

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
JP-2021137697-A	Cyclic compound separation or purification methods, cyclic compound production methods, separators, and separators	20200302

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.9876363
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	199.9876363
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6