3,4,5-Trichlorobenzoic Acid - CAS 51-39-8

Name: 3,4,5-Trichlorobenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027427
Product Name:	3,4,5-Trichlorobenzoic Acid
CAS:	51-39-8
Synonyms:	3,4,5-trichlorobenzoic acid; 3,4,5-trichlorobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,4,5-trichlorobenzoic acid
Description:	3,4,5-Trichlorobenzoic Acid (CAS# 51-39-8) is a useful research chemical.
Molecular Weight:	225.46
Molecular Formula:	C7H3Cl3O2
Canonical SMILES:	C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)O
InChI:	InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key:	ICUICNRYLHKQGS-UHFFFAOYSA-N
Boiling Point:	345.4 °C at 760 mmHg
Density:	1.635 g/cm³
LogP:	3.34500

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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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.919862
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.919862
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6