AG005PSJ

6850-23-3 | 1-Methyl-6-nitro-1H-indazole

AG005PSJ

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CAS Number	6850-23-3
Catalog Number	AG005PSJ(AGN-PC-0JLT5E)
Chemical Name	1-Methyl-6-nitro-1H-indazole
IUPAC Name	1-methyl-6-nitroindazole
InChI	InChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
InChI Key	TUWHJYXETJCCPJ-UHFFFAOYSA-N
MDL Number	MFCD00456124
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
NSC Number	131654
SMILES	CN1N=CC2=CC=C(C=C12)[N+]([O-])=O
Synonyms	1-Methyl-6-nitro-1H-indazole, 6850-23-3, 1-methyl-6-nitroindazole, 1H-Indazole,1-methyl-6-nitro-, 1H-Indazole, 1-methyl-6-nitro-, 6-Nitro-1-methyl-1H-indazole, MFCD00456124, NSC131654, NSC 131654, PubChem20113, AC1Q1ZQU, Oprea1_471590, SCHEMBL427515, AC1L310L, CHEMBL167331, CTK5C8101, DTXSID00218628, TUWHJYXETJCCPJ-UHFFFAOYSA-N, ZINC1719161, ZX-RL001109, ANW-56258, BBL100124, FCH829771, STK370158, AKOS005071811, BB-0836, CM-1789, MCULE-1861494345, NSC-131654, PB29070, RP03047, VI20008, KS-000006H2, AJ-30942, AK-27915, CJ-29179, OR110173, AB0038161, AX8029413, ST1100547, TR-022890, AM20041007, CS-0052435, FT-0646476, ST51060877, Y5517, 50M233, A15751, C-8154, I10-1188, J-504978, C8H7N3O2, C8-H7-N3-O2, CID81290, AR-1C4667, 1-methyl-6-nitro-1H-indazole, 95% - 1G 1g, 6948-62-5,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.163g/mol
Monoisotopic Mass	177.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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