AG0005HA

1017779-69-9 | Benzenamine, 3-fluoro-4-(trifluoromethoxy)-

AG0005HA

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CAS Number	1017779-69-9
Catalog Number	AG0005HA(AGN-PC-02DC4A)
Chemical Name	Benzenamine, 3-fluoro-4-(trifluoromethoxy)-
IUPAC Name	3-fluoro-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key	NDCPAIUBKAIJTK-UHFFFAOYSA-N
MDL Number	MFCD09832383
Molecular Formula	C7H5F4NO
Molecular Weight	195.1143
SMILES	O(C(F)(F)F)c1c(F)cc(cc1)N
Synonyms	3-Fluoro-4-(trifluoromethoxy)aniline, 1017779-69-9, MFCD09832383, AK-37417, Benzenamine, 3-fluoro-4-(trifluoromethoxy)-, 3-Fluoro-4-Trifluoromethoxyphenylamine, SCHEMBL7779423, CTK7D6723, DTXSID00598816, NDCPAIUBKAIJTK-UHFFFAOYSA-N, 3-fluoro-4-trifluoromethoxy-aniline, ZX-AP011788, ANW-61864, BBL102917, FCH835071, PC5548, SBB091832, STL556726, ZINC36533703, AKOS006281839, CM10068, TRA0078075, 3-fluoro-4-(trifluoromethoxy)phenylamine, AJ-93247, DS-13267, AX8160892, ST2405064, TC-150609, 4CH-003757, Z6403, KS-00000107, 4-Amino-alpha,alpha,alpha,2-tetrafluoroanisole, C7H5F4NO,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.117g/mol
Monoisotopic Mass	195.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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