AG008R8R

105202-02-6 | Benzenamine, 2-​iodo-​5-​(trifluoromethyl)​-

AG008R8R

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CAS Number	105202-02-6
Catalog Number	AG008R8R(AGN-PC-00N46X)
Chemical Name	Benzenamine, 2-​iodo-​5-​(trifluoromethyl)​-
IUPAC Name	2-iodo-5-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2
InChI Key	KJTQOUZTJKNWGK-UHFFFAOYSA-N
MDL Number	MFCD04972658
Molecular Formula	C7H5F3IN
Molecular Weight	287.0210
SMILES	C(F)(F)(F)c1cc(N)c(cc1)I
Synonyms	3-Amino-4-iodobenzotrifluoride, 105202-02-6, 2-iodo-5-(trifluoromethyl)aniline, Benzenamine, 2-iodo-5-(trifluoromethyl)-, MFCD04972658, PubChem2786, AC1Q512M, SCHEMBL1441204, Jsp000497, CTK7C3339, KS-00000NGS, 2-Iodo-5-trifluoromethyl-aniline, DTXSID50544106, KJTQOUZTJKNWGK-UHFFFAOYSA-N, ACT13081, ZINC2540122, 2-Iodo-5-trifluoromethyl-phenylamine, CK1166, AKOS015855616, AC-2326, AM61726, AS03835, CM11502, LS10403, MCULE-5795483931, PS-7182, RTC-050981, AJ-38998, AK-32750, AN-14107, SC-93694, AB0030701, TC-050981, FT-0654166, ST24041751, X2916, EN300-59054, A21322, S-7962, 202A026, I01-4569, J-001358, Z414834718, C7H5F3IN, ethyl 5-cyano-1H-indole-2-carboxylate, 5-CYANOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.942g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.024g/mol
Monoisotopic Mass	286.942g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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