AG000UNX

13058-73-6 | Isoquinoline, 7-nitro-

AG000UNX

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CAS Number	13058-73-6
Catalog Number	AG000UNX(AGN-PC-0NI48U)
Chemical Name	Isoquinoline, 7-nitro-
IUPAC Name	7-nitroisoquinoline
InChI	InChI=1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
InChI Key	NYHHIPIPUVLUFF-UHFFFAOYSA-N
MDL Number	MFCD09264588
Molecular Formula	C9H6N2O2
Molecular Weight	174.1561
SMILES	O=[N+](C1=CC2=C(C=C1)C=CN=C2)[O-]
Synonyms	7-nitroisoquinoline, 13058-73-6, 7-Nitro-isoquinoline, Isoquinoline, 7-nitro-, SCHEMBL1828850, DTXSID10480874, NYHHIPIPUVLUFF-UHFFFAOYSA-N, 5583AA, ANW-75035, FCH868160, MFCD09264588, RW3248, ZINC38890452, AKOS006330513, AC-9599, QC-2117, AJ-97114, AK-39662, AM807233, DS-14010, OR350298, AB1010353, AX8161903, DB-029381, TC-062000, FT-0720336, ST24045719, A26454, K-4061, C9H6N2O2, ACN-S005133,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.159g/mol
Monoisotopic Mass	174.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

Lot Number