methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate

methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate

Also Known As: Oprea1_758056|methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate|4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester|methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate|BAS 06330887|Methyl 4-((3-nitro-1H-1,2,4-triazol-1-yl)methyl)benzoate|methyl 4-[(3-nitro-1,2,4-triazolyl)methyl]benzoate|methyl 4-(3-nitro-1H-1,2,4-triazol-1-yl)methylbenzoate|Methyl4-((3-nitro-1H-1,2,4-triazol-1-yl)methyl)benzoate|4-(3-nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acidmethyl ester

Molecular Formula	C11H10N4O4
Molecular Weight	262.0702 g/mol
LogP	1.0212
Topological Polar Surface Area	100.15 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	262.0702
Monoisotopic Mass	262.0702
Heavy Atoms	19
Complexity	605.41266

Chemical Identifiers

CAS Number	406470-74-4
SMILES	COC(=O)C1=CC=C(C=C1)CN2C=NC(=N2)[N+](=O)[O-]