AG00FCE3

716-31-4 | 5-Methoxy-2-(trifluoromethyl)benzoic acid

AG00FCE3

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CAS Number	716-31-4
Catalog Number	AG00FCE3(AGN-PC-0WAMOR)
Chemical Name	5-Methoxy-2-(trifluoromethyl)benzoic acid
IUPAC Name	5-methoxy-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O3/c1-15-5-2-3-7(9(10,11)12)6(4-5)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key	JMDOWBGYPYBWDC-UHFFFAOYSA-N
MDL Number	MFCD13185683
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)C1=CC(OC)=CC=C1C(F)(F)F
Synonyms	5-methoxy-2-(trifluoromethyl)Benzoic acid, 716-31-4, 5-METHOXY-2-TRIFLUOROMETHYLBENZOIC ACID, PubChem19747, KS-00000IEK, DTXSID30733753, CL9132, MFCD13185683, ZINC72338570, AKOS017559916, CS-W022399, RP27248, AK-40978, DS-13724, AJ-121017, 4CH-009241, ST24029503, J-517672, 5-methoxy-2-(trifluoromethyl)-Benzoic acid,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.147g/mol
Monoisotopic Mass	220.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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