AG00I6XM

35010-29-8 | 2,4-Difluoro-5-nitrobenzotrifluoride

AG00I6XM

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CAS Number	35010-29-8
Catalog Number	AG00I6XM
Chemical Name	2,4-Difluoro-5-nitrobenzotrifluoride
IUPAC Name	1,5-difluoro-2-nitro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H2F5NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H
InChI Key	CRJRIPYSOOEORJ-UHFFFAOYSA-N
MDL Number	MFCD16659985
Molecular Formula	C7H2F5NO2
Molecular Weight	227.0883
SMILES	FC(F)(F)C1=CC([N+]([O-])=O)=C(F)C=C1F
Synonyms	2,4-Difluoro-5-nitrobenzotrifluoride, 35010-29-8, 1,5-difluoro-2-nitro-4-(trifluoromethyl)benzene, SCHEMBL8043011, CRJRIPYSOOEORJ-UHFFFAOYSA-N, MFCD16659985, ZINC91252363, PC500228, PS-10478, 2,4-difluoro-5-trifluoromethylnitrobenzene, 1,5-difluoro-2-nitro-4-trifluoromethylbenzene,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.09g/mol
Monoisotopic Mass	227.001g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number