AG0037PO

2822-50-6 | 3-Nitro-4-(trifluoromethoxy)aniline

AG0037PO

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CAS Number	2822-50-6
Catalog Number	AG0037PO(AGN-PC-0JTT4V)
Chemical Name	3-Nitro-4-(trifluoromethoxy)aniline
IUPAC Name	3-nitro-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(11)3-5(6)12(13)14/h1-3H,11H2
InChI Key	QXIKEFNBFUHDHK-UHFFFAOYSA-N
MDL Number	MFCD03840207
Molecular Formula	C7H5F3N2O3
Molecular Weight	222.1214
SMILES	[N+](=O)([O-])C=1C=C(N)C=CC1OC(F)(F)F
Synonyms	3-Nitro-4-(trifluoromethoxy)aniline, 2822-50-6, 4-(Trifluoromethoxy)-3-nitroaniline, Benzenamine,3-nitro-4-(trifluoromethoxy)-, QXIKEFNBFUHDHK-UHFFFAOYSA-N, MFCD03840207, 3-Nitro-4-trifluoromethoxy-phenylamine, 5-Amino-2-(trifluoromethoxy)nitrobenzene, PubChem4499, ACMC-1CMET, AC1LD7YY, SCHEMBL1130254, CTK4G1035, 3-nitro-4-trifluoromethoxyaniline, DTXSID20346634, ACT11513, ZINC2513203, ZX-AP003471, 3-nitro-4-(trifluormethoxy)-aniline, ANW-26355, PC1558, SBB064391, 3-nitro-4-(trifluoromethyloxy)aniline, AKOS015833319, 3-Nitro-4-(trifluoromethoxy)aniline #, AC-9660, AM61882, AN-6077, AS03878, VZ35173, 3-nitro-4-(trifluoromethoxy)phenylamine, AJ-36822, AK-34502, CC-15721, CJ-08684, PS-10490, SC-48243, AB0030703, AX8088476, DB-047356, TC-050900, TC-115100, Benzenamine, 3-nitro-4-(trifluoromethoxy)-, CS-0063203, FT-0634505, ST24042372, X2918, Y-9829, 4-Amino-2-nitro-alpha,alpha,alpha-trifluoroanisole, A819378, C-12347, I01-4759, 3-NITRO-4- ANILINE, C7H5F3N2O3, CID613694,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.025g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.123g/mol
Monoisotopic Mass	222.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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