1-(2-Chloro-4-nitrophenyl)pyrrolidine - CAS 55403-91-3

Catalog:	BB051900
Product Name:	1-(2-Chloro-4-nitrophenyl)pyrrolidine
CAS:	55403-91-3
Synonyms:	Pyrrolidine, 1-(2-chloro-4-nitrophenyl)-; (2-chloro-4-nitrophenyl)pyrrolidine

Technical Data

Computed Properties

IUPAC Name:	1-(2-chloro-4-nitrophenyl)pyrrolidine
Molecular Weight:	226.66
Molecular Formula:	C10H11ClN2O2
Canonical SMILES:	C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI:	InChI=1S/C10H11ClN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChI Key:	XMLGZIMCJDYHOD-UHFFFAOYSA-N
Boiling Point:	365.0±32.0 °C at 760 mmHg
Melting Point:	89-92°C
Purity:	>95%
Density:	1.351±0.06 g/cm3

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Related Functional Groups

Halides

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[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

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Pyrrolidines

[1427004-19-0]
DBCO-PEG4-NHS ester
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[36821-26-8]
Ethyl 2-oxopyrrolidine-3-carboxylate
[478700-27-5]
1-Boc-(s)-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid
[74844-91-0]
Boc-L-4-trans-hydroxyproline methyl ester

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0509053
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.0509053
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3