AG008XQH

1067193-34-3 | 5-FLUORO-7-AZAINDOLE-3-CARBOXYLIC ACID

AG008XQH

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CAS Number	1067193-34-3
Catalog Number	AG008XQH(AGN-PC-0WABFF)
Chemical Name	5-FLUORO-7-AZAINDOLE-3-CARBOXYLIC ACID
IUPAC Name	5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H5FN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13)
InChI Key	QPXLPJIMEKHJJA-UHFFFAOYSA-N
MDL Number	MFCD12962623
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	O=C(C1=CNC2=NC=C(F)C=C21)O
Synonyms	1067193-34-3, 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-FLUORO-7-AZAINDOLE-3-CARBOXYLIC ACID, SCHEMBL2814713, 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-fluoro-, DTXSID00696644, ZINC44700113, AKOS025146577, PB28467, AS-33548, AM20050650, CS-0050481, KS-00000397, C-8429, A801487, 5-fluoranyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid, MFCD12962623,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^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-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number