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Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate

Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate - CAS 500594-68-3

Catalog:	BB049261
Product Name:	Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate
CAS:	500594-68-3
Synonyms:	methyl3-[(2-chloro-4-nitrophenoxy)methyl]benzoate

Technical Data

Computed Properties

IUPAC Name:	methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate
Description:	Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate (CAS# 500594-68-3 ) is a useful research chemical.
Molecular Weight:	321.71
Molecular Formula:	C15H12ClNO5
Canonical SMILES:	COC(=O)C1=CC=CC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI:	InChI=1S/C15H12ClNO5/c1-21-15(18)11-4-2-3-10(7-11)9-22-14-6-5-12(17(19)20)8-13(14)16/h2-8H,9H2,1H3
InChI Key:	IWCXQSCSIYCLEJ-UHFFFAOYSA-N
Boiling Point:	475.4±40.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.0404002
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	321.0404002
Rotatable Bond Count:	5
Topological Polar Surface Area:	81.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7