AG006NHF

954112-61-9 | 5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBALDEHYDE

AG006NHF

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CAS Number	954112-61-9
Catalog Number	AG006NHF(AGN-PC-07ZRUK)
Chemical Name	5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBALDEHYDE
IUPAC Name	5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI	InChI=1S/C8H5ClN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChI Key	NKTDCYOZPANZSE-UHFFFAOYSA-N
MDL Number	MFCD12962789
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	O=CC1=CNC2=NC=C(Cl)C=C21
Synonyms	5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, 954112-61-9, 5-CHLORO-7-AZAINDOLE-3-CARBOXALDEHYDE, 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-CHLORO-1H-PYRROLO(2,3-B)PYRIDINE-3-CARBALDEHYDE, SCHEMBL1713542, CTK5H7705, DTXSID30676873, NKTDCYOZPANZSE-UHFFFAOYSA-N, 5-Chloro-7-azaindole-3-carbaldehyde, MFCD12962789, ZINC44712672, 5-Chloro-7-azaindole-3-carboaldehyde, AKOS016845392, DS-2941, FCH1146850, PB25501, AC-27877, AK133012, AM804603, CJ-20482, SC-49507, AJ-109985, AX8254199, DB-080225, ST2418706, TX-013246, 4CH-012482, CS-0004620, FT-0652744, X6196, KS-00000394, Q-1736, A845291, 5-cloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, S14-1801, 5-chloranyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, C8H5ClN2O,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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