AG000TQR

129825-11-2 | Ethanone, 1-[4-chloro-3-(trifluoromethyl)phenyl]-

AG000TQR

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CAS Number	129825-11-2
Catalog Number	AG000TQR(AGN-PC-0KKVQJ)
Chemical Name	Ethanone, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
IUPAC Name	1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3
InChI Key	UYNMUXTXDHJBEN-UHFFFAOYSA-N
MDL Number	MFCD03094146
Molecular Formula	C9H6ClF3O
Molecular Weight	222.5915
SMILES	C1=CC(=C(C=C1C(C)=O)C(F)(F)F)Cl
Synonyms	129825-11-2, 4'-Chloro-3'-(trifluoromethyl)acetophenone, 4-Chloro-3-(trifluoromethyl)acetophenone, 1-[4-chloro-3-(trifluoromethyl)phenyl]ethan-1-one, 3'-(trifluoromethyl)-4'-chloroacetophenone, 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone, Ethanone, 1-[4-chloro-3-(trifluoromethyl)phenyl]-, 5-Acetyl-2-chlorobenzotrifluoride, 1-(4-chloro-3-(trifluoromethyl)phenyl)ethanone, Ethanone,1-[4-chloro-3-(trifluoromethyl)phenyl]-, MFCD03094146, 3-(trifluoromethyl)-4-chloroacetophenone, 1-acetyl-4-chloro-3-(trifluoromethyl)benzene, PubChem7143, AC1MCNJY, ACMC-209bhb, Intermediates-ZCF02003, SCHEMBL76697, Jsp001812, CTK4B6419, DTXSID40378750, UYNMUXTXDHJBEN-UHFFFAOYSA-N, ACT12927, JRD-0569, ZINC2243103, 5509AA, ANW-19149, SBB064943, AKOS015850041, AC-3637, AM61756, AS04030, CC-1217, CM11173, CS-W013110, MCULE-8655299041, PS-7813, RTR-004095, VZ27331, (4-chloro-3-trifluoromethyl)acetophenone, AJ-34191, AN-12767, SY032574, DB-041935, ST2417850, TR-004095, FT-0643117, ST50408499, 1-(4-chloro-3-trifluoromethylphenyl)ethanone, 4\'-Chloro-3\'-(trifluoromethyl)acetophenone, MFCD03094146 (98%), A19702, C-5228, 4&#39-chloro-3&#39-(trifluoromethyl)acetophenone, I01-6443, 4'-chloro-3'-(trifluoromethyl)acetophenone, AldrichCPR, Z1741961156, 5-acetyl-2-chlorobenzotrifluoride, 1-[4-chloro-3-(trifluoromethyl)phenyl]ethan-1-one, 4 inverted exclamation mark -Chloro-3 inverted exclamation mark -(trifluoromethyl)acetophenone, Not Available, C9H6ClF3O, ZINC02243103, CID2773851, C2821,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.591g/mol
Monoisotopic Mass	222.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number