2-(Acetylamino)-6-nitrobenzoic Acid - CAS 73721-78-5
Catalog: |
BB034904 |
Product Name: |
2-(Acetylamino)-6-nitrobenzoic Acid |
CAS: |
73721-78-5 |
Synonyms: |
2-acetamido-6-nitrobenzoic acid; 2-acetamido-6-nitrobenzoic acid |
IUPAC Name: | 2-acetamido-6-nitrobenzoic acid |
Description: | 2-(Acetylamino)-6-nitrobenzoic Acid (CAS# 73721-78-5) is a useful research chemical, a urinary metabolites of 2,4-dinitrotoluene and 2,6-dinitrotoluene in the male Wistar rat. |
Molecular Weight: | 224.17 |
Molecular Formula: | C9H8N2O5 |
Canonical SMILES: | CC(=O)NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C9H8N2O5/c1-5(12)10-6-3-2-4-7(11(15)16)8(6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14) |
InChI Key: | HHNTZMHFBQIQAK-UHFFFAOYSA-N |
Boiling Point: | 472.2 ℃ at 760 mmHg |
Density: | 1.526 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
LogP: | 1.84760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.04332136 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.04332136 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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