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

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[127228-82-4]
3-(1,3-Dioxolan-2-yl)-4-fluoroaniline
[401940-05-4]
3-(2,6-Difluorophenyl)-1-propylamine
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[15522-59-5]
Tetrabutylammonium tetraphenylborate

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

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