AG003J6R

186517-41-9 | 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid

AG003J6R

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CAS Number	186517-41-9
Catalog Number	AG003J6R(AGN-PC-0KKVNW)
Chemical Name	3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
IUPAC Name	3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3ClF4O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
InChI Key	PCNHWBAPTNAREE-UHFFFAOYSA-N
MDL Number	MFCD01631342
Molecular Formula	C8H3ClF4O2
Molecular Weight	242.5548
SMILES	O=C(O)C1=C(C(F)(F)F)C=CC(Cl)=C1F
Synonyms	3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, 186517-41-9, MFCD01631342, PubChem8541, AC1MCNEQ, rarechem al be 0494, ACMC-1BX8A, SCHEMBL7927678, CTK4D9265, DTXSID70378687, PCNHWBAPTNAREE-UHFFFAOYSA-N, JRD-1021, ZINC2574957, ZX-AP006020, 6268AD, PC0151, SBB099615, AKOS005258504, JS-4168, MCULE-5726017735, RTR-008616, VZ26566, KS-000019P4, ACM186517419, AJ-42290, CC-14653, SC-50838, AX8005577, DB-044607, CS-0038448, FT-0615333, ST50407342, C-5908, 3-chloro-2-fluoro-6-trifluoromethylbenzoic acid, 3-Chloro-2-fluoro-6-trifluoromethyl-benzoic acid, A813050, C-14647, Benzoic acid, 3-chloro-2-fluoro-6-(trifluoromethyl)-, Benzoic acid,3-chloro-2-fluoro-6-(trifluoromethyl)-, I01-14228, 3-chloranyl-2-fluoranyl-6-(trifluoromethyl)benzoic acid, 3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, 97+%, 3 - Chloro - 2 - fluoro - 6 - (trifluoromethyl)benzoic acid, 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid, AldrichCPR, 2-carboxy-4-chloro-3-fluorobenzotrifluoride, 5-chloro-alpha,alpha,alpha,6-tetrafluoro-o-toluic acid, C8H3ClF4O2, CID2773754,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.976g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.554g/mol
Monoisotopic Mass	241.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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