AG0033K9

94022-99-8 | 3-[2-(Trifluoromethyl)Phenyl]Propionic Acid

AG0033K9

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CAS Number	94022-99-8
Catalog Number	AG0033K9(AGN-PC-00OQ81)
Chemical Name	3-[2-(Trifluoromethyl)Phenyl]Propionic Acid
EC Number	301-594-7
IUPAC Name	3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChI Key	YTDVNFDGHHHPEE-UHFFFAOYSA-N
MDL Number	MFCD06823965
Molecular Formula	C10H9F3O2
Molecular Weight	218.1725
SMILES	FC(C1=C(C=CC=C1)CCC(=O)O)(F)F
Synonyms	3-[2-(Trifluoromethyl)phenyl]propanoic acid, 94022-99-8, 3-[2-(trifluoromethyl)phenyl]propionic acid, 3-(2-(trifluoromethyl)phenyl)propanoic acid, 2-(trifluoromethyl)hydrocinnamic acid, 2-(Trifluoromethyl)benzenepropanoic acid, Benzenepropanoic acid, 2-(trifluoromethyl)-, MFCD06823965, 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid, AK-42264, ACMC-20a31j, SCHEMBL1953231, 3-[2-(trifluoromethyl)phenyl]p, CHEBI:60707, CTK5H4657, YTDVNFDGHHHPEE-UHFFFAOYSA-N, 2-(2-Carboxyethyl)benzotrifluoride, CS-M0242, KS-00000OH7, ZX-AP010986, ANW-54869, CT-801, PC1935, SBB095533, ZINC12954344, AKOS000197401, BBV-087922, GS-6190, QC-5273, TRA0058801, 2-(Trifluoromethyl)-benzenepropanoic acid, AJ-63142, SY032237, AB0000950, AX8209612, DB-079774, ST2405190, TC-066461, 4CH-017562, FT-0084148, FT-0660176, W9652, 3-(2'-(Trifluoromethyl)phenyl)propionic acid, MFCD06823965 (97%), S-1045, 022T998, 3-[2-(Trifluoromethyl)phenyl]propionic acid, 97%, 3-[2-(trifluoromethyl)phenyl]propionic acid, jrd, 97%, 2-(2-carboxyethyl)benzotrifluoride, 3-[2-(trifluoromethyl)phenyl]propionic acid, 3-[o- ]propionicacid, C10H9F3O2, EINECS 301-594-7, C10-H9-F3-O2, ACN-031396, 3-[2-(Trifluoromethyl)phenyl]propanoicacid, 3-(o-(alpha,alpha,alpha-Trifluorotolyl))propionic acid, 3-[2-(TrifluoroMethyl)phenyl]propionic acid, 98% - 1G 1g, 109-16-0,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.055g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.175g/mol
Monoisotopic Mass	218.055g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

Lot Number