AG003HJ5

4864-01-1 | 2-Methoxy-5-(trifluoromethyl)benzoic acid

AG003HJ5

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CAS Number	4864-01-1
Catalog Number	AG003HJ5(AGN-PC-00N68Y)
Chemical Name	2-Methoxy-5-(trifluoromethyl)benzoic acid
IUPAC Name	2-methoxy-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O3/c1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key	NAKZCKOHULJEID-UHFFFAOYSA-N
MDL Number	MFCD01862091
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC=C1OC
Synonyms	2-Methoxy-5-(trifluoromethyl)benzoic acid, 4864-01-1, 2-METHOXY-5-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 2-methoxy-5-(trifluoromethyl)-, MFCD01862091, PubChem10415, ACMC-209wn0, SCHEMBL345774, CTK4J0918, KS-00000PRU, DTXSID10544405, NAKZCKOHULJEID-UHFFFAOYSA-N, ACT00619, JRD-1944, ANW-46570, BBL100556, CL8891, SBB095897, STL554350, ZINC12956694, AKOS005254623, AC-4475, AM61573, RP05144, AJ-63243, AK-86782, AN-11958, DS-18234, EN002131, SC-99456, DB-057842, ST2404462, TC-135315, Benzoic acid,2-methoxy-5-(trifluoromethyl)-, CS-0042046, W6485, 2-(methyloxy)-5-(trifluoromethyl)benzoic acid, Q-8184, 2-METHOXY-5-(TRIFLUOROMETHYL)BENZOICACID, 864M011, I01-8319, J-509823, W-204286, Cetyl chloride, 2-Methoxy-5- benzoicacid, C9H7F3O3, MFCD00000959,

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	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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