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1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid

1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid - CAS 874800-64-3

Catalog:	BB047643
Product Name:	1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CAS:	874800-64-3
Synonyms:	1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
Description:	1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid (CAS# 874800-64-3 ) is a useful research chemical.
Molecular Weight:	284.69
Molecular Formula:	C12H13ClN2O4
Canonical SMILES:	C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C12H13ClN2O4/c13-9-1-2-10(11(7-9)15(18)19)14-5-3-8(4-6-14)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)
InChI Key:	HQKBFKPPCHIJAA-UHFFFAOYSA-N
Boiling Point:	487.0±45.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Halides

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene
[2114-39-8]
2-Bromo-1-phenylpropane

Oxygen Compounds

[544-62-7]
Batyl alcohol
[77987-49-6]
Z-Glycinol
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Piperidines

[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[217487-18-8]
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
[1006349-05-8]
Ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.0563846000001
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.0563846000001
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5