2,4-Dichloro-3,5-dinitrobenzotrifluoride

CAT: 0024-sc-275313Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275313Size:1 g

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CAS Number

29091-09-6

Chemical Information

2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene

CAS Number	29091-09-6
PubChem CID	94398
IUPAC Name	2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
Molecular Formula	C7HCl2F3N2O4
Molecular Weight	304.99
XLogP	3.7
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	356

SMILES

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

InChI

InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H

InChIKey

DPQYRXNRGNLPFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29091-09-6

CID: 94398

Formula: C7HCl2F3N2O4

MW: 304.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.99
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	303.9265464
Monoisotopic Mass	303.9265464
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356
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
sc-238812	4-Chloro-3,5-dinitrobenzotrifluoride
sc-232389	4-Amino-3,5-dinitrobenzotrifluoride
sc-232145	3,5-Dinitrobenzotrifluoride
sc-230122	2-Chloro-3,5-dinitrobenzotrifluoride
sc-275396	2,5-Dichloro-3,4-dinitrothiophene
sc-266053	2,4-Dichloro-3,5-dimethylphenol
sc-493086	3,5-Dichloro-2,4-difluoronitrobenzene
sc-266942	3,5-Dichloro-2',4'-dimethylbenzophenone
sc-495818	3,5-Dichloro-2,4-difluoroaniline
sc-345518	3- (2,4-Dichloro-benzoyl) -5- (3,4-dichloro-benzylidene) -2-thioxo-imidazolidin-4-one

Catalog	Name
TRC-D433440-500MG	2,4-Dichloro-3,5-dinitrobenzotrifluoride
TRC-C367130-5G	4-Chloro-3,5-dinitrobenzotrifluoride
FC20056-01	2-Chloro-3,5-dinitrobenzotrifluoride
PC8461-01	4-Amino-3,5-dinitrobenzotrifluoride
PC107725	5-Chloro-2,4-dinitrobenzotrifluoride
PC3018-01	3,5-Dinitrobenzotrifluoride
PC106915	2,4-Dinitrobenzotrifluoride
C11730-01	4-Chloro-3,5-dinitrobenzotrifluoride 97%
PC9713	3-Chloro-2,6-dinitrobenzotrifluoride
FD184497	2,4-Dichloro-3,5-dihydroxybenzaldehyde