AG00DCYQ

52957-66-1 | 6-NITRO-2,3-DIHYDRO-1H-INDEN-5-YLAMINE

AG00DCYQ

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CAS Number	52957-66-1
Catalog Number	AG00DCYQ(AGN-PC-0KKPND)
Chemical Name	6-NITRO-2,3-DIHYDRO-1H-INDEN-5-YLAMINE
IUPAC Name	6-nitro-2,3-dihydro-1H-inden-5-amine
InChI	InChI=1S/C9H10N2O2/c10-8-4-6-2-1-3-7(6)5-9(8)11(12)13/h4-5H,1-3,10H2
InChI Key	HLUYEDQKIFUIIP-UHFFFAOYSA-N
MDL Number	MFCD00172125
Molecular Formula	C9H10N2O2
Molecular Weight	178.1879
SMILES	NC1=CC2=C(CCC2)C=C1[N+]([O-])=O
Synonyms	52957-66-1, 6-nitro-2,3-dihydro-1H-inden-5-amine, 6-nitro-2,3-dihydro-1H-inden-5-ylamine, 5-Amino-6-nitroindane, 6-nitro-5-indanamine, 5-Amino-6-nitroindan, AE-562/43459507, 5-amino-6-nitro-indane, nitrodihydroindenylamine, 5-amino 6-nitroindan, 6-nitroindan-5-amine, 6-nitroindane-5-ylamine, AC1MC8JQ, Oprea1_824509, SCHEMBL1669119, CTK4J6796, KS-00001UBK, DTXSID00377047, HLUYEDQKIFUIIP-UHFFFAOYSA-N, ZINC3883647, 5015AE, FCH840099, MFCD00172125, SBB089404, AKOS000281100, MCULE-3546485024, RP10805, ACM52957661, AJ-46835, AK123853, 1H-Inden-5-amine,2,3-dihydro-6-nitro-, DB-052223, TR-018750, CS-0060781, FT-0640123, 2C-038, Z-1972, I05-914, J-518951, C9H10N2O2, ZINC03883647, CID2763604,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.191g/mol
Monoisotopic Mass	178.074g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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