AG000HHA

1190311-44-4 | 1H-Pyrrolo[3,2-b]pyridine, 6-(trifluoromethyl)-

AG000HHA

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CAS Number	1190311-44-4
Catalog Number	AG000HHA(AGN-PC-07ZRTE)
Chemical Name	1H-Pyrrolo[3,2-b]pyridine, 6-(trifluoromethyl)-
IUPAC Name	6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)5-3-7-6(13-4-5)1-2-12-7/h1-4,12H
InChI Key	SMLPVLYYZMPXBV-UHFFFAOYSA-N
MDL Number	MFCD12963187
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	FC(C1=CN=C2C(NC=C2)=C1)(F)F
Synonyms	6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine, 1190311-44-4, 6-Trifluoromethyl-4-azaindole, AK-59544, CTK4B1021, 6-(Trifluoromethyl)-4-azaindole, DTXSID10676831, ANW-46018, MFCD12963187, ZINC44713062, AKOS015998731, CS-W022437, CT-1045, FCH1181868, FS-3506, SB13746, KS-0000018O, CJ-20491, QC-10557, AB0035075, AJ-110037, AX8217086, DB-061472, TX-013313, 4CH-000142, FT-0657765, ST24024235, X9346, Q-9141, A804158, 1H-Pyrrolo[3,2-b]pyridine, 6-(trifluoromethyl)-, S14-1673, C8H5F3N2,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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