Methyl 2-amino-5-nitrobenzoate

C₈H₈N₂O₄CAS 3816-62-4196.16 g/mol

Open in Covalent MOL file

Ester Nitro Primary amine

Properties

Molecular formula: C₈H₈N₂O₄
Molar mass: 196.16 g/mol
Exact mass: 196.0484 Da
logP: 0.96Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3816-62-4

SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N

InChIKey

VOQBLPBLKSXCDB-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Methyl 2-amino-5-nitrobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-771 % similar Methyl 2-methyl-5-nitrobenzoate77324-87-969 % similar Methyl 5-nitrosalicylate17302-46-467 % similar Methyl 2-fluoro-5-nitrobenzoate2965-22-267 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-067 % similar Methyl 2-bromo-5-nitrobenzoate6942-36-567 % similar Methyl 2-methyl-4-nitrobenzoate62621-09-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxy-3-nitrobenzamide10397-58-7 Methyl 4-amino-3-nitrobenzoate3987-92-6 4-(Methylamino)-3-nitrobenzoic acid41263-74-5 Methyl 3-nitroanthranilate57113-91-4

Elsewhere

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