AG0052A5

845866-79-7 | 2-Iodo-4-trifluoromethoxyaniline

AG0052A5

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CAS Number	845866-79-7
Catalog Number	AG0052A5(AGN-PC-0WA6TK)
Chemical Name	2-Iodo-4-trifluoromethoxyaniline
IUPAC Name	2-iodo-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5F3INO/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChI Key	QDKAGYKFJHVWBK-UHFFFAOYSA-N
MDL Number	MFCD04972994
Molecular Formula	C7H5F3INO
Molecular Weight	303.0204
SMILES	NC1=CC=C(OC(F)(F)F)C=C1I
Synonyms	2-iodo-4-(trifluoromethoxy)aniline, 845866-79-7, 2-Iodo-4-trifluoromethoxyaniline, 2-iodo-4-(trifluoromethoxy)benzenamine, 4-trifluoromethoxy-2-iodoaniline, 4-(trifluoromethoxy)-2-iodoaniline, PubChem10108, ACMC-209pvt, AC1MC4CE, SCHEMBL462815, CTK5F2723, KS-00003QZG, DTXSID10375599, QDKAGYKFJHVWBK-UHFFFAOYSA-N, ZINC2540438, ZX-AP001404, 2-iodo-4-(trifluoromethoxy)-aniline, ANW-37815, MFCD04972994, PC9571, AKOS015853623, 2-iodo-4-(trifluoromethoxy)phenylamine, FCH1324033, MCULE-9458946015, PS-7120, RTR-037966, 2-iodanyl-4-(trifluoromethyloxy)aniline, AJ-39083, DA-02898, AX8182913, TR-037966, CS-0081139, FT-0687001, ST51042191, V7942, B-5279, 4-Amino-3-iodo-alpha,alpha,alpha-trifluoroanisole, A840862, I14-25453, C7H5F3INO, ZINC02540438, CID2761172,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.937g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	303.023g/mol
Monoisotopic Mass	302.937g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 2811

Certificate of Analysis

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