AG008R2D

1048921-49-8 | 2,6-DIFLUORO-3-(TRIFLUOROMETHYL)-BENZOIC ACID

AG008R2D

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CAS Number	1048921-49-8
Catalog Number	AG008R2D(AGN-PC-07B6MN)
Chemical Name	2,6-DIFLUORO-3-(TRIFLUOROMETHYL)-BENZOIC ACID
IUPAC Name	2,6-difluoro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3F5O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15)
InChI Key	CVJDKSBPBBKDEN-UHFFFAOYSA-N
MDL Number	MFCD03412249
Molecular Formula	C8H3F5O2
Molecular Weight	226.1002
SMILES	O=C(O)C1=C(F)C=CC(C(F)(F)F)=C1F
Synonyms	2,6-Difluoro-3-(trifluoromethyl)benzoic acid, 1048921-49-8, 2,6-DIFLUORO-3-(TRIFLUOROMETHYL)-BENZOIC ACID, PubChem11236, SCHEMBL936925, DTXSID10669526, ZINC2529915, MFCD03412249, CM12689, AJ-38470, AS-33127, PC500239, AX8290748, DB-059217, FT-0758846, Z1809, A801093, 2,6-bis(fluoranyl)-3-(trifluoromethyl)benzoic acid, C8H3F5O2,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.102g/mol
Monoisotopic Mass	226.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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