AG000D3O

1167056-71-4 | Methyl 6-nitro-1H-indazole-3-carboxylate

AG000D3O

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CAS Number	1167056-71-4
Catalog Number	AG000D3O(AGN-PC-0WAE5J)
Chemical Name	Methyl 6-nitro-1H-indazole-3-carboxylate
IUPAC Name	methyl 6-nitro-1H-indazole-3-carboxylate
InChI	InChI=1S/C9H7N3O4/c1-16-9(13)8-6-3-2-5(12(14)15)4-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key	BTIPBYPPBACDLK-UHFFFAOYSA-N
MDL Number	MFCD11845648
Molecular Formula	C9H7N3O4
Molecular Weight	221.1696
SMILES	O=C(C1=NNC2=C1C=CC([N+]([O-])=O)=C2)OC
Synonyms	Methyl 6-nitro-1H-indazole-3-carboxylate, 1167056-71-4, 1H-INDAZOLE-3-CARBOXYLIC ACID, 6-NITRO-, METHYL ESTER, DTXSID00694640, CS-D0090, KS-000005BP, 2741AA, MFCD11845648, ZINC44184970, AM81134, AK-64290, AS-42074, AB0081690, AJ-109501, AX8211870, W-1530, 6-Nitro-1H-indazole-3-caboxylic acid methyl ester, C9H7N3O4, Methyl6-nitro-1H-indazole-3-carboxylate, methyl 6-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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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