AG0096JW

1098340-27-2 | Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate

AG0096JW

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CAS Number	1098340-27-2
Catalog Number	AG0096JW(AGN-PC-0WAMCT)
Chemical Name	Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
IUPAC Name	methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
InChI	InChI=1S/C11H8F3NO2/c1-17-10(16)9-5-6-7(11(12,13)14)3-2-4-8(6)15-9/h2-5,15H,1H3
InChI Key	HEEQKKQXILYZNF-UHFFFAOYSA-N
MDL Number	MFCD11655690
Molecular Formula	C11H8F3NO2
Molecular Weight	243.1819
SMILES	O=C(C(N1)=CC2=C1C=CC=C2C(F)(F)F)OC
Synonyms	methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate, 1098340-27-2, AK174387, methyl 4-trifluoromethyl-1H-indole-2-carboxylate, KS-00000T4D, MIX-1068, ZX-BK002985, BBL022011, MFCD11655690, STK894730, ZINC34792397, AKOS005144445, DS-8716, MCULE-7068943751, CS-0041509, K-0661,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.051g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.185g/mol
Monoisotopic Mass	243.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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