AG007P27

22235-25-2 | Methyl 3-amino-5-(trifluoromethyl)benzoate

AG007P27

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CAS Number	22235-25-2
Catalog Number	AG007P27(AGN-PC-0L41Q7)
Chemical Name	Methyl 3-amino-5-(trifluoromethyl)benzoate
IUPAC Name	methyl 3-amino-5-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-6(9(10,11)12)4-7(13)3-5/h2-4H,13H2,1H3
InChI Key	UOVPHHSFTNRQHJ-UHFFFAOYSA-N
MDL Number	MFCD00625827
Molecular Formula	C9H8F3NO2
Molecular Weight	219.1605
SMILES	O=C(OC)C1=CC(C(F)(F)F)=CC(N)=C1
Synonyms	methyl 3-amino-5-(trifluoromethyl)benzoate, 22235-25-2, 3-Amino-5-trifluoromethyl-benzoic acid methyl ester, Benzoic acid,3-amino-5-(trifluoromethyl)-, methyl ester, Benzoic acid, 3-amino-5-(trifluoromethyl)-, methyl ester, AC1N19ID, AC1Q42XF, SCHEMBL630490, 3-AMINO-5-TRIFLUOROMETHYL-BENZOICACIDMETHYLESTER, CTK4E8949, DTXSID10398622, UOVPHHSFTNRQHJ-UHFFFAOYSA-N, KS-00000N2U, ZINC4562407, ANW-47051, MFCD00625827, SBB095740, STK030664, AKOS005259364, AM82923, CS-W006248, GS-3829, MCULE-4594677048, VZ32583, Methyl 3-Amino-5-trifluoromethylbenzoate, Methyl 3-trifluoromethyl-5-aminobenzoate, 3-methoxycarbonyl-5-trifluoromethylaniline, AJ-51680, AK-85651, CJ-12151, methyl 3-amino-5-trifluoromethyl-benzoate, SC-32562, SY056659, AB0023512, DB-045848, methyl 3-azanyl-5-(trifluoromethyl)benzoate, methyl 5-amino-3-(trifluoromethyl)benzoate, ST2419542, TC-135796, 4CH-002473, FT-0638202, TL80090389, W4584, EN300-64139, MFCD00625827 (95%), A57786, M-9319, 3-amino-5trifluoromethylbenzoic acid methyl ester, 3-amino-5-trifluoromethylbenzoic acid methyl ester, A816033, 3-amino-5-(trifluoromethyl)-benzoic acid methyl ester, 3-amino-5-(trifluoromethyl)benzoic acid methyl ester, Z902530302, C9H8F3NO2, ZINC04562407, CID4026781,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.163g/mol
Monoisotopic Mass	219.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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