AG003MXF

607-32-9 | 5-Nitroisoquinoline

AG003MXF

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CAS Number	607-32-9
Catalog Number	AG003MXF(AGN-PC-0JL8SN)
Chemical Name	5-Nitroisoquinoline
EC Number	210-133-8
IUPAC Name	5-nitroisoquinoline
InChI	InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H
InChI Key	PYGMPFQCCWBTJQ-UHFFFAOYSA-N
MDL Number	MFCD00006905
Molecular Formula	C9H6N2O2
Molecular Weight	174.1561
NSC Number	3017
SMILES	C1=C2C(=CN=C1)C=CC=C2[N+](=O)[O-]
Synonyms	5-nitroisoquinoline, 5-nitroquinoline, 5-Nitroisoquinoline, 607-32-9, Isoquinoline, 5-nitro-, 5-Nitro-isoquinoline, MFCD00006905, MLS002637661, PYGMPFQCCWBTJQ-UHFFFAOYSA-N, 5-nitroisochinolin, EINECS 210-133-8, 5-nitro isoquinoline, PubChem6272, AI3-61887, Maybridge1_001820, ACMC-1AV1Q, 5-Nitroisoquinoline, 98%, AC1Q1X2S, Oprea1_032003, AC1L2B31, AC1Q201M, CHEMBL353253, SCHEMBL1010663, CTK2F2846, HMS546K16, KS-00000DJC, PYGMPFQCCWBTJQ-UHFFFAOYSA-, ZINC93213, DTXSID00209511, NSC3017, HMS3078A13, ACT09900, ALBB-021274, BCP27437, NSC-3017, ANW-33564, CN-105, SBB066313, AKOS009031454, AC-2758, AS-9401, CM10265, CS-W019587, MCULE-3481899062, RP23622, VQ10270, AJ-10917, AK-26171, AN-13638, BR-26171, CJ-00732, SC-05672, SMR000684750, SY002826, U379, ZB003278, AB0006987, DB-029185, TC-063958, TC-122309, TL8003850, FT-0083716, FT-0620715, N0640, ST24029544, ST50406602, EN300-20805, MFCD00006905 (98%), A15684, B-8230, AC-907/25014228, SR-01000473564, SR-01000473564-1, W-105232, InChI=1/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H, C9H6N2O2, C9-H6-N2-O2, CID69085, AR-1G9136, ACN-036044, 5-nitro-1,2,3,4-tetrahydroisoquinoline, 5-Nitroisoquinoline, 98% - 100G 100g, 41959-45-9, 625-15-0, 849068-61-7,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number