2-Methoxy-5-nitrobenzaldehyde - CAS 25016-02-8
Catalog: |
BB018695 |
Product Name: |
2-Methoxy-5-nitrobenzaldehyde |
CAS: |
25016-02-8 |
Synonyms: |
2-methoxy-5-nitrobenzaldehyde |
IUPAC Name: | 2-methoxy-5-nitrobenzaldehyde |
Description: | 2-Methoxy-5-nitrobenzaldehyde (CAS# 25016-02-8) is a useful research chemical compound. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3 |
InChI Key: | YWVSKFXYEWMHEO-UHFFFAOYSA-N |
Boiling Point: | 336.7 ℃ at 760 mmHg |
Density: | 1.322 g/cm3 |
MDL: | MFCD02093683 |
LogP: | 1.93910 |
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 |
Publication Number | Title | Priority Date |
EP-3484878-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
JP-2019528247-A | Bicyclic heteroaryl substituted compounds | 20160714 |
KR-20190027385-A | Bicyclic heteroaryl substituted compounds | 20160714 |
US-2019292176-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
WO-2018013774-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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