AG000P3P

1190310-15-6 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-fluoro-

AG000P3P

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CAS Number	1190310-15-6
Catalog Number	AG000P3P(AGN-PC-086G5I)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-fluoro-
IUPAC Name	5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI	InChI=1S/C8H5FN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11)
InChI Key	QILHLWLSZHECBY-UHFFFAOYSA-N
MDL Number	MFCD12962822
Molecular Formula	C8H5FN2O
Molecular Weight	164.1365
SMILES	O=CC1=C2C(NC=C2)=NC=C1F
Synonyms	5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde, 1190310-15-6, AC1Q4N2O, ACMC-209a14, SCHEMBL1952830, CTK7H8149, DTXSID20678427, QILHLWLSZHECBY-UHFFFAOYSA-N, ANW-17270, FCH923942, MFCD12962822, ZINC44712706, AKOS006333845, SB14479, AK-91985, CJ-20486, AJ-109993, AX8230157, ST2406242, TR-071328, Z8065, A-6142, 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-fluoro-, 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-4-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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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