AG004RAS

84531-36-2 | 3-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine

AG004RAS

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CAS Number	84531-36-2
Catalog Number	AG004RAS(AGN-PC-00BON7)
Chemical Name	3-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridine
IUPAC Name	3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridine
InChI	InChI=1S/C8H8N2O2/c11-10(12)7-4-6-2-1-3-8(6)9-5-7/h4-5H,1-3H2
InChI Key	MOSHQQPJHRYIHH-UHFFFAOYSA-N
MDL Number	MFCD09800609
Molecular Formula	C8H8N2O2
Molecular Weight	164.1613
SMILES	O=[N+](C1=CN=C2C(CCC2)=C1)[O-]
Synonyms	3-NITRO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE, 84531-36-2, 3-nitro-5H,6H,7H-cyclopenta[b]pyridine, 6,7-dihydro-3-nitro-5H-cyclopentapyridine, 6,7-dihydro-3-nitro-5H-Cyclopenta[b]pyridine, SCHEMBL13341660, CTK5F2582, KS-00000NOS, DTXSID80468644, MOSHQQPJHRYIHH-UHFFFAOYSA-N, CN-654, MFCD09800609, SBB056371, ZINC35822570, AKOS006329476, AJ-92144, AK-46157, DS-13772, DB-028722, FT-0084042, FT-0660144, ST24042380, W8722, S-1139, 5H-Cyclopenta[b]pyridine,6,7-dihydro-3-nitro-, 3-nitro-5,6,7-trihydrocyclopenta[2,1-b]pyridine, I14-10199, C8H8N2O2, CID11564522, 3-nitro-5-azabicyclo[4.3.0]nona-2,4,10-triene,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.164g/mol
Monoisotopic Mass	164.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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