AG00H2QY

918516-27-5 | 1H-Pyrrolo[2,3-b]pyridine, 5-(4-chlorophenyl)-

AG00H2QY

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CAS Number	918516-27-5
Catalog Number	AG00H2QY(AGN-PC-0C5RM0)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine, 5-(4-chlorophenyl)-
IUPAC Name	5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
InChI	InChI=1S/C13H9ClN2/c14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11/h1-8H,(H,15,16)
InChI Key	AIRHBAXIGSQPNX-UHFFFAOYSA-N
MDL Number	MFCD22682656
Molecular Formula	C13H9ClN2
Molecular Weight	228.6770
SMILES	ClC1=CC=C(C2=CN=C(NC=C3)C3=C2)C=C1
Synonyms	5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE, 918516-27-5, 1H-Pyrrolo[2,3-b]pyridine, 5-(4-chlorophenyl)-, AK160999, SCHEMBL410298, CTK3H6900, KS-00000SKC, DTXSID20728774, MFCD22682656, ZINC90487302, AKOS024464287, DS-9833, AC-26972, AJ-128814, AX8267091, FT-0700902, ST24044199, X-2355, 1H-Pyrrolo[2,3-b]pyridine,5-(4-chlorophenyl)-,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.045g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.679g/mol
Monoisotopic Mass	228.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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