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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

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[1141669-47-7]
2-Amino-4-(1-imidazolyl)benzoic Acid
[5000-66-8]
2-Bromo-2'-chloroacetophenone

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[88-60-8]
2-tert-Butyl-5-methylphenol

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-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
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[931998-13-9]
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-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