AG002UFK

276861-63-3 | Benzoic acid, 3-methoxy-4-(trifluoromethyl)-

AG002UFK

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CAS Number	276861-63-3
Catalog Number	AG002UFK(AGN-PC-01NB69)
Chemical Name	Benzoic acid, 3-methoxy-4-(trifluoromethyl)-
IUPAC Name	3-methoxy-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O3/c1-15-7-4-5(8(13)14)2-3-6(7)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key	HBMINIVKUUVKEB-UHFFFAOYSA-N
MDL Number	MFCD13185682
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)C1=CC=C(C(F)(F)F)C(OC)=C1
Synonyms	3-Methoxy-4-(Trifluoromethyl)Benzoic Acid, 276861-63-3, 3-METHOXY-4-TRIFLUOROMETHYLBENZOIC ACID, MFCD13185682, SCHEMBL5369141, DTXSID60591787, HBMINIVKUUVKEB-UHFFFAOYSA-N, ACT07357, CL8091, ZINC91252099, AKOS015957221, DS-9364, AK158514, SY047821, AB0087397, AJ-129222, CS-0063823, ST24042266, Benzoic acid, 3-methoxy-4-(trifluoromethyl)-, MFCD13185682 (97%), X-3604, Z1509576391, 213598-09-5,

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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