2,4-Dimethylfluorobenzene

CAT: 0127-PC1997-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1997-01Size:5 g

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CAS Number

452-65-3

Synonyms

4-Fluoro-m-xylene, 2,4-Dimethyl-1-fluorobenzene

MDL Number

MFCD00060643

Purity

=95%

Smiles

Cc1ccc(F)c(C)c1

Chemical Information

1-Fluoro-2,4-dimethylbenzene

CAS Number	452-65-3
PubChem CID	12328684
IUPAC Name	1-fluoro-2,4-dimethylbenzene
Molecular Formula	C8H9F
Molecular Weight	124.15
XLogP	2.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC1=CC(=C(C=C1)F)C

InChI

InChI=1S/C8H9F/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3

InChIKey

AAIJEURQKZASKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 452-65-3

CID: 12328684

Formula: C8H9F

MW: 124.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.15
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	124.068828449
Monoisotopic Mass	124.068828449
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
OR84284-01	4,4',4''-Trimethyl-2,2':6',2''-terpyridine
PC106710	2- (2,2,3,4,4,4-Hexafluorobutoxymethyl) oxirane

Catalog	Name
D40250-01	2 3-Dimethylfluorobenzene
420931-01	2,6-Dimethylfluorobenzene
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone