AG01DDXF

61324-89-8 | 4-(Difluoromethyl)-1-fluoro-2-nitrobenzene

AG01DDXF

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CAS Number	61324-89-8
Catalog Number	AG01DDXF(AGN-PC-02ST3O)
Chemical Name	4-(Difluoromethyl)-1-fluoro-2-nitrobenzene
IUPAC Name	4-(difluoromethyl)-1-fluoro-2-nitrobenzene
InChI	InChI=1S/C7H4F3NO2/c8-5-2-1-4(7(9)10)3-6(5)11(12)13/h1-3,7H
InChI Key	ADPIQVYGOJQOFD-UHFFFAOYSA-N
MDL Number	MFCD14698663
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=[N+](C1=CC(C(F)F)=CC=C1F)[O-]
Synonyms	4-(Difluoromethyl)-1-fluoro-2-nitrobenzene, 61324-89-8, SCHEMBL2698568, CTK2E2382, DTXSID80606564, ADPIQVYGOJQOFD-UHFFFAOYSA-N, MFCD14698663, ZINC47203490, AS05722, Benzene, 4-(difluoromethyl)-1-fluoro-2-nitro-, 4-fluoro-3-nitrodifluoromethylbenzene, 121058-19-3,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.109g/mol
Monoisotopic Mass	191.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number