AG008NHQ

78155-75-6 | Methyl 5-nitro-1H-indazole-3-carboxylate

AG008NHQ

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CAS Number	78155-75-6
Catalog Number	AG008NHQ(AGN-PC-0NJWQ4)
Chemical Name	Methyl 5-nitro-1H-indazole-3-carboxylate
IUPAC Name	methyl 5-nitro-1H-indazole-3-carboxylate
InChI	InChI=1S/C9H7N3O4/c1-16-9(13)8-6-4-5(12(14)15)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key	TUUGVBZYZYAHPC-UHFFFAOYSA-N
MDL Number	MFCD07371594
Molecular Formula	C9H7N3O4
Molecular Weight	221.1696
SMILES	O=C(C1=NNC2=C1C=C([N+]([O-])=O)C=C2)OC
Synonyms	METHYL 5-NITRO-1H-INDAZOLE-3-CARBOXYLATE, 78155-75-6, C9H7N3O4, 5-Nitro-1H-indazole-3-carboxylic Acid Methyl Ester, SCHEMBL5929615, 1H-Indazole-3-carboxylic acid, 5-nitro-, methyl ester, CTK5E5439, DTXSID50506966, TUUGVBZYZYAHPC-UHFFFAOYSA-N, KS-000003RP, 7408AH, MFCD07371594, ZINC35567207, AKOS015898479, PB23487, AC-29513, AJ-91423, AK154612, AS-33720, SC-26599, AB0091284, AX8026947, DB-030030, ST1100745, CS-0053882, FT-0727957, Q-1184, I10-0415, 1H-Indazole-3-carboxylicacid, 5-nitro-, methyl ester, methyl 5-nitro-1H-indazole-3-carboxylate, 95% - 1G 1g,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.044g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.172g/mol
Monoisotopic Mass	221.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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