1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone - CAS 1292836-16-8

Catalog:	BB054444
Product Name:	1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
CAS:	1292836-16-8
Synonyms:	1-(4-Chloro-2-fluoro-5-nitro-phenyl)-ethanone; Ethanone, 1-(4-chloro-2-fluoro-5-nitrophenyl)-

Technical Data

Computed Properties

IUPAC Name:	1-(4-chloro-2-fluoro-5-nitrophenyl)ethanone
Molecular Weight:	217.58
Molecular Formula:	C8H5ClFNO3
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C8H5ClFNO3/c1-4(12)5-2-8(11(13)14)6(9)3-7(5)10/h2-3H,1H3
InChI Key:	CGOODLQYGNBCGQ-UHFFFAOYSA-N
Boiling Point:	285.6±35.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone
[75907-83-4]
2-Fluoro-N-hydroxy-benzamidine

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[351-28-0]
3'-Fluoroacetanilide
[2048273-69-2]
cis-3-Fluorooxan-4-amine hydrochloride

Halides

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.9941989
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.9941989
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2