AG00GABI

84531-35-1 | 3-Nitro-5,6,7,8-tetrahydroquinoline

AG00GABI

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CAS Number	84531-35-1
Catalog Number	AG00GABI(AGN-PC-0NEQ2L)
Chemical Name	3-Nitro-5,6,7,8-tetrahydroquinoline
IUPAC Name	3-nitro-5,6,7,8-tetrahydroquinoline
InChI	InChI=1S/C9H10N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h5-6H,1-4H2
InChI Key	HBFBJEXFVBHLIC-UHFFFAOYSA-N
MDL Number	MFCD15527169
Molecular Formula	C9H10N2O2
Molecular Weight	178.1879
SMILES	O=[N+](C1=CC2=C(N=C1)CCCC2)[O-]
Synonyms	3-nitro-5,6,7,8-tetrahydroquinoline, 84531-35-1, 5,6,7,8-tetrahydro-3-nitro-quinoline, SCHEMBL5582661, DTXSID00452520, HBFBJEXFVBHLIC-UHFFFAOYSA-N, ALBB-032430, 2987AC, MFCD15527169, ZINC71260706, 5,6,7,8tetrahydro-3-nitro-quinoline, AKOS015924454, 3-nitro-5,6,7,8-tetrahydro-quinoline, AB0000336, AJ-117887, ST2401859, 4CH-019468, S-1168, InChI=1/C9H10N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h5-6H,1-4H, C9H10N2O2, CID11030373,

Complexity	202
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	0
Isotope Atom Count	0
Molecular Weight	178.191g/mol
Monoisotopic Mass	178.074g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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