4-Bromo-3-nitrobenzoic acid - CAS 6319-40-0
Catalog: |
BB032047 |
Product Name: |
4-Bromo-3-nitrobenzoic acid |
CAS: |
6319-40-0 |
Synonyms: |
4-bromo-3-nitrobenzoic acid |
IUPAC Name: | 4-bromo-3-nitrobenzoic acid |
Description: | 4-Bromo-3-nitrobenzoic acid (CAS# 6319-40-0) is a useful research chemical. |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H4BrNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | RVCTZJVBWNFYRU-UHFFFAOYSA-N |
Boiling Point: | 340.9 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.892 g/cm3 |
MDL: | MFCD00272137 |
LogP: | 2.57870 |
GHS Hazard Statement: | H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
CN-109467509-B | Preparation method of substituted nitrobenzene compounds | 20170908 |
US-10202357-B2 | Class of quinolone heterocyclic aromatic molecules for cancer treatment | 20161109 |
US-2018127383-A1 | Novel class of quinolone heterocyclic aromatic molecules for cancer treatment | 20161109 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.93237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.93237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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