4-Methoxy-2-nitrobenzoic acid - CAS 33844-21-2
Catalog: |
BB021857 |
Product Name: |
4-Methoxy-2-nitrobenzoic acid |
CAS: |
33844-21-2 |
Synonyms: |
4-methoxy-2-nitrobenzoic acid |
IUPAC Name: | 4-methoxy-2-nitrobenzoic acid |
Description: | 4-Methoxy-2-nitrobenzoic acid (CAS# 33844-21-2) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
InChI Key: | DVZBWONCSHFMMM-UHFFFAOYSA-N |
Boiling Point: | 372.9 ℃ at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD04972109 |
LogP: | 1.82480 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111499539-A | Aryl cyanide synthesis method using aryl carboxylic acid as raw material | 20200420 |
CN-110747489-A | Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof | 20191107 |
CN-110747489-B | Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof | 20191107 |
CN-109553534-A | A kind of preparation method of 2- nitro -4- methoxy benzoic acid | 20181127 |
EP-3549927-A1 | A process for the synthesis of carbon labeled organic compounds | 20180406 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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