AG000DVW

1171920-17-4 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-fluoro-

AG000DVW

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CAS Number	1171920-17-4
Catalog Number	AG000DVW(AGN-PC-022ZLY)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-fluoro-
IUPAC Name	5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI	InChI=1S/C8H5FN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChI Key	RPBDGPLCGCJDOM-UHFFFAOYSA-N
MDL Number	MFCD12922779
Molecular Formula	C24H34O8
Molecular Weight	450.5220
SMILES	O=C1C=C2[C@H](CC1)[C@H]3[C@@H](CC2)[C@@H]4[C@@](CC3)(C)[C@H](CC4)O[C@H]5C(O)C(O)[C@@H](O)C(C(O)=O)O5
Synonyms	5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, 1171920-17-4, 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-fluoro-, ACMC-2099tv, AC1Q4N2I, SCHEMBL1337617, 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde,5-fluoro-, CTK7B8360, DTXSID30596749, RPBDGPLCGCJDOM-UHFFFAOYSA-N, ANW-17009, MFCD12922779, ZINC38534088, AKOS006332666, RTR-065472, SB14415, AJ-95641, CJ-19282, TR-065472, CS-0056507, Z7815, A-6069, 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, AldrichCPR, C8H5FN2O,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.139g/mol
Monoisotopic Mass	164.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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