AG0010HU

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CAS Number	13230-21-2
Catalog Number	AG0010HU(AGN-PC-0KPA8N)
Chemical Name	methyl 2-(4-nitro-1H-imidazol-1-yl)acetate
IUPAC Name	methyl 2-(4-nitroimidazol-1-yl)acetate
InChI	InChI=1S/C6H7N3O4/c1-13-6(10)3-8-2-5(7-4-8)9(11)12/h2,4H,3H2,1H3
InChI Key	LCKCAKPRNOIOBA-UHFFFAOYSA-N
MDL Number	MFCD00621268
Molecular Formula	C6H7N3O4
Molecular Weight	185.1375
SMILES	COC(CN1C=C([N+]([O-])=O)N=C1)=O
Synonyms	Methyl (4-nitro-1-imidazolyl)acetate, 13230-21-2, (4-Nitro-imidazol-1-yl)-acetic acid methyl ester, BAS 00384760, AC1MIYJ3, methyl 2-(4-nitro-1H-imidazol-1-yl)acetate, AC1Q445Z, SCHEMBL1797696, CTK4B7857, DTXSID70389253, LCKCAKPRNOIOBA-UHFFFAOYSA-N, ZINC15950457, AKOS000561008, AKOS015893998, MCULE-5506001137, methyl 2-(4-nitroimidazol-1-yl)acetate, METHYL(4-NITRO-1-IMIDAZOLYL)ACETATE, Methyl (4-nitro-1-imidazolyl)acetate, 97%, 4-Nitro-1H-imidazole-1-acetic acid methyl ester, 1H-Imidazole-1-aceticacid, 4-nitro-, methyl ester, I04-8430, J-006157, 1H-Imidazole-1-acetic acid, 4-nitro-, methyl ester, ACN-025549, CID3103698,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.044g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.139g/mol
Monoisotopic Mass	185.044g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited