AG000FU1

1150618-36-2 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(trifluoromethyl)-

AG000FU1

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CAS Number	1150618-36-2
Catalog Number	AG000FU1(AGN-PC-0WAMTT)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(trifluoromethyl)-
IUPAC Name	5-bromo-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI	InChI=1S/C8H4BrF3N2/c9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4/h1-3H,(H,13,14)
InChI Key	UVCPMKCLEJTRCP-UHFFFAOYSA-N
MDL Number	MFCD12024503
Molecular Formula	C8H4BrF3N2
Molecular Weight	265.0300
SMILES	FC(C1=CNC2=NC=C(Br)C=C21)(F)F
Synonyms	5-bromo-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine, 1150618-36-2, AK138239, SCHEMBL15882593, KS-00000PFY, DTXSID90653983, UVCPMKCLEJTRCP-UHFFFAOYSA-N, MFCD12024503, ZINC32914963, AKOS015919277, CS-W018898, DS-5969, FCH1409023, AJ-85692, AX8222077, ST2411829, 4CH-016746, FT-0688245, S11-0012, 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(trifluoromethyl)-,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.951g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.033g/mol
Monoisotopic Mass	263.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number