AG00DB2V

50700-55-5 | 1-Methyl-2-nitro-1H-Imidazole-5-carboxylic acid

AG00DB2V

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CAS Number	50700-55-5
Catalog Number	AG00DB2V(AGN-PC-0NHLZY)
Chemical Name	1-Methyl-2-nitro-1H-Imidazole-5-carboxylic acid
IUPAC Name	3-methyl-2-nitroimidazole-4-carboxylic acid
InChI	InChI=1S/C5H5N3O4/c1-7-3(4(9)10)2-6-5(7)8(11)12/h2H,1H3,(H,9,10)
InChI Key	NFYPTUROVHPXQA-UHFFFAOYSA-N
MDL Number	MFCD19443277
Molecular Formula	C5H5N3O4
Molecular Weight	171.1109
SMILES	O=C(C1=CN=C([N+]([O-])=O)N1C)O
Synonyms	1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid, 50700-55-5, 1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro-, SCHEMBL1993428, CTK1G6211, KS-00001ETL, DTXSID30476411, BCP14275, CS-M2112, 6999AB, MFCD19443277, QC-920, ZINC88189764, AKOS016000338, CS-13324, AB0094855, AJ-128144, TX-018164, Z-3081, 1H-Imidazole-5-carboxylicacid,1-methyl-2-nitro-, 1H-IMidazole-5-carboxylic acid,1-Methyl-2-nitro-, 3-METHYL-2-NITROIMIDAZOLE-4-CARBOXYLIC ACID, F8881-0020, C5H5N3O4,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.028g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.112g/mol
Monoisotopic Mass	171.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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

Lot Number