AG003KBA

4315-07-5 | 4-(Trifluoromethoxy)phenylacetic acid

AG003KBA

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CAS Number	4315-07-5
Catalog Number	AG003KBA(AGN-PC-0KKY5E)
Chemical Name	4-(Trifluoromethoxy)phenylacetic acid
IUPAC Name	2-[4-(trifluoromethoxy)phenyl]acetic acid
InChI	InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	ZMTIBXQPXBUWPQ-UHFFFAOYSA-N
MDL Number	MFCD00061239
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)CC1=CC=C(OC(F)(F)F)C=C1
Synonyms	4-(Trifluoromethoxy)phenylacetic acid, 4315-07-5, 2-[4-(trifluoromethoxy)phenyl]acetic acid, 2-(4-(trifluoromethoxy)phenyl)acetic acid, 4-(trifluoromethoxy)phenylaceticacid, [4-(trifluoromethoxy)phenyl]acetic acid, 4-trifluoromethoxyphenylacetic acid, (4-Trifluoromethoxy-phenyl)-acetic acid, Benzeneacetic acid, 4-(trifluoromethoxy)-, (4-(trifluoromethoxy)phenyl)acetic acid, Maybridge3_006163, PubChem7378, AC1MCRMI, ACMC-1APXW, AC1Q74YE, AC1Q74YF, KSC495I5F, SCHEMBL378766, CTK3J5452, DTXSID60380471, ZMTIBXQPXBUWPQ-UHFFFAOYSA-N, HMS1448I03, ZINC105292, 4-trifluoromethoxyphenyl-acetic acid, ACT13032, ALBB-005929, JRD-0662, KS-00000CV7, ANW-49979, BBL013267, CCG-46154, CT-177, SBB047998, STK503628, 4-(trifluoromethoxy)-phenylacetic acid, AKOS000163082, AS02170, CS-W002285, MCULE-5723321875, PS-7875, RP27250, RTR-016779, TF10365, TRA0086719, IDI1_017550, AC-14123, AJ-11185, AK-46251, BR-46251, SC-58163, SY023240, 4-TRIFLUOROMETHOXY-PHENYLACETIC ACID, DB-051042, ST2418049, TR-016779, 4-(Trifluoromethoxy)phenylacetic acid, 98%, 4CH-015710, A1690, AM20061234, FT-0635222, ST50320183, W6262, EN300-42093, C-5567, Mon Jul 05 00:00:00 CST 4315, MFCD00061239 (97+%), I01-5729, J-513900, SR-01000635868-1, BRD-K63699978-001-02-2, Z426041484, 4- PHENYLACETICACID, C9H7F3O3, MFCD00061239, CID2777319, 110529-22-1,

Complexity	219
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	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

Lot Number