AG005VL0

96100-12-8 | 3-Amino-5-methylbenzotrifluoride

AG005VL0

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CAS Number	96100-12-8
Catalog Number	AG005VL0(AGN-PC-0KK8PO)
Chemical Name	3-Amino-5-methylbenzotrifluoride
IUPAC Name	3-methyl-5-(trifluoromethyl)aniline
InChI	InChI=1S/C8H8F3N/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4H,12H2,1H3
InChI Key	WYDJMBLMXGCHOL-UHFFFAOYSA-N
MDL Number	MFCD01631580
Molecular Formula	C8H8F3N
Molecular Weight	175.1510
SMILES	FC(F)(F)C1=CC(C)=CC(N)=C1
Synonyms	3-Amino-5-methylbenzotrifluoride, 96100-12-8, 3-methyl-5-(trifluoromethyl)aniline, 3-Methyl-5-trifluoromethylaniline, 3-methyl -5-(trifluoromethyl)aniline, PubChem2794, Benzenamine, 3-methyl-5-trifluoromethyl, AC1MC7Q9, SCHEMBL658517, CTK5H8579, KS-00003RAD, 3-methyl-5-thifluoromethylaniline, DTXSID90372223, WYDJMBLMXGCHOL-UHFFFAOYSA-N, 3-Methyl-5-Amino Benzotrifluoride, 5-methyl-3-trifluoromethylani-line, 3-Amino-5-(trifluoromethyl)toluene, ZINC2382276, 5-Methyl-3-(trifluoromethyl)aniline, CL8435, FC1165, MFCD01631580, SBB070203, AKOS006229811, AM84088, CS-W005539, LS10401, MCULE-9920975473, PS-8608, 3-methyl-5-(trifluoromethyl)benzenamine, 3-methyl-5-(trifluoromethyl)phenylamine, AC-11242, AJ-34814, AK-32242, AN-34785, BR-32242, EN001625, SC-07447, AB0020832, DB-011222, ST2404888, TL8006004, FT-0081604, FT-0615009, V1854, S-2868, 100A128, A845543, I01-5894, Z1849003954, C8H8F3N, ZINC02382276, ACN-055892, CID2737713, A11195,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.154g/mol
Monoisotopic Mass	175.061g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number