2,4-Difluoronitrobenzene

CAT: 0926-FD64613Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FD64613Size:1 Kg

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CAS Number

446-35-5

MDL Number

MFCD00007050

Smiles

C1=CC (=C (C=C1F) F) [N+] (=O) [O-]

Molecular Formula

C6H3F2NO2

Molecular Weight

159.09 g/mol

Controlled

Chemical Information

2,4-Difluoronitrobenzene

standard antigen; structure

CAS Number	446-35-5
PubChem CID	67967
IUPAC Name	2,4-difluoro-1-nitrobenzene
Molecular Formula	C6H3F2NO2
Molecular Weight	159.09
XLogP	1.8
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

C1=CC(=C(C=C1F)F)[N+](=O)[O-]

InChI

InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey

RJXOVESYJFXCGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 446-35-5

CID: 67967

Formula: C6H3F2NO2

MW: 159.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.09
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	159.01318466
Monoisotopic Mass	159.01318466
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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
FD64616	3,4-Difluoronitrobenzene
FD64615-01	2,6-Difluoronitrobenzene
ZPA63324	3-Bromo-4,5-difluoronitrobenzene
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
LCD08774-01	4,4,4-Trifluoro-2,2-dimethylbutanal
DBA67916-01	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
FT29044-01	2,2':6',2'-Terpyridine-4,4',4''-tricarboxylic acid
UQB34049-01	Ethyl 4- (2,4-dimethylphenyl) -2,4-dioxobutanoate

Catalog	Name
PC2850-01	2,4-Difluoronitrobenzene
D25710-01	2 4-Difluoronitrobenzene
420235-01	2, 4-Difluoronitrobenzene
AR-B05702-01	2,4-Difluoronitrobenzene-13C6
431573-01	4-Chloro-2,6-difluoronitrobenzene
TRC-C377793-5G	3-Chloro-2,4-difluoronitrobenzene
PC1497-01	2-Chloro-3,4-difluoronitrobenzene
PC3191-01	2-Chloro-4,5-difluoronitrobenzene
PC48460-01	2-Bromo-4,6-difluoronitrobenzene
PC49157-01	3-Bromo-2,4-difluoronitrobenzene