4'-Methoxy-2'-nitroacetanilide - CAS 119-81-3
Catalog: |
BB004657 |
Product Name: |
4'-Methoxy-2'-nitroacetanilide |
CAS: |
119-81-3 |
Synonyms: |
N-(4-methoxy-2-nitrophenyl)acetamide; N-(4-methoxy-2-nitrophenyl)acetamide |
IUPAC Name: | N-(4-methoxy-2-nitrophenyl)acetamide |
Description: | 4'-Methoxy-2'-nitroacetanilide (CAS# 119-81-3) is a useful research chemical compound. |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12) |
InChI Key: | QGEGALJODPBPGR-UHFFFAOYSA-N |
Boiling Point: | 433.8 °C at 760 mmHg |
Density: | 1.327 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00017018 |
LogP: | 2.15800 |
GHS Hazard Statement: | H302 (100%): 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-111704555-A | Method for synthesizing 4-methoxy-2-nitroaniline by adopting continuous flow reactor | 20200617 |
WO-2017037604-A1 | Novel fyn kinase inhibitors | 20150828 |
US-2016279623-A1 | Polymeric acid catalysis | 20150325 |
US-9463450-B1 | Polymeric acid catalysis | 20150325 |
CN-103641734-A | Method for selectively synthesizing aromatic nitro compound | 20131216 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.06405680 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.06405680 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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