AG003L2B

1184936-21-7 | 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate

AG003L2B

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CAS Number	1184936-21-7
Catalog Number	AG003L2B(AGN-PC-0723YJ)
Chemical Name	4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate
EC Number	605-687-6
IUPAC Name	1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone;hydrate;hydrochloride
InChI	InChI=1S/C8H5ClF3NO.ClH.H2O/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;;/h1-3H,13H2;1H;1H2
InChI Key	FUYMYLYDBVWEHG-UHFFFAOYSA-N
MDL Number	MFCD09841379
Molecular Formula	C8H8Cl2F3NO2
Molecular Weight	278.0558
SMILES	O.Cl.ClC1=CC(=C(N)C=C1)C(C(F)(F)F)=O
Synonyms	4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate, 173676-59-0, 1184936-21-7, 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone Hydrochloride Hydrate, Q-101440, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrate hydrochloride, FUYMYLYDBVWEHG-UHFFFAOYSA-N, 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate, PubChem2959, SCHEMBL1052365, CTK8B5926, DTXSID40657739, ACN-S003619, ANW-51182, MFCD09841379, AKOS015855383, CS-W003666, LS10382, RTR-007695, TRA0008923, KS-000000G6, KS-000009Q8, AK-47552, AN-15254, BR-47552, DS-14403, SC-01709, SY002208, AB0063104, AX8212137, TR-007695, FT-0656531, ST24032772, MFCD09841379 (96%), M-7472, 4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate, 676T590, A811549, I14-0491, 4-Chloro-2-(trifluoroacetyl)anilineHydrochlorideHydrate, 4-Chloro-2-trifluoroacetylaniline, hydrochloride hydrate, 4-Chloro-2-(trifluoroacetyl)aniline, hydrate, hydrochloride, 4-Chloro-2-trifluoroacetyl-aniline, hydrochloride hydrate, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethane-1,1-diol, 1-(2-amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanone hydrate hydrochloride, 1-(2-Amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanone hydrochloride hydrate, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one hydrochloride hydrate, 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one--hydrogen chloride--water (1/1/1), 1-(2-azanyl-5-chloranyl-phenyl)-2,2,2-tris(fluoranyl)ethanone hydrate hydrochloride, 4-CHLORO-2(1,1-DIHYDROXY-2,2,2-TRIFLUOROETHYL)ANILINE HCL (SD570), Efavirenz Intermediate E-2, C8 H5 Cl F3 N O . Cl H, 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride, 2'-Amino-5'-chloro-2,2,2-trifluoroacetophenone, Etanona, 1-(2-amino-5-clorofenil)-2,2,2-trifluoro-, clorhidrato (1:1), 214353-17-0,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.988g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	278.052g/mol
Monoisotopic Mass	276.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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