Methyl 4-Bromo-1-naphthoate - CAS 35615-97-5
Catalog: |
BB022701 |
Product Name: |
Methyl 4-Bromo-1-naphthoate |
CAS: |
35615-97-5 |
Synonyms: |
4-bromo-1-naphthalenecarboxylic acid methyl ester; methyl 4-bromonaphthalene-1-carboxylate |
IUPAC Name: | methyl 4-bromonaphthalene-1-carboxylate |
Description: | Methyl 4-Bromo-1-naphthoate (CAS# 35615-97-5) is a useful research chemical. |
Molecular Weight: | 265.10 |
Molecular Formula: | C12H9BrO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C2=CC=CC=C21)Br |
InChI: | InChI=1S/C12H9BrO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3 |
InChI Key: | NSWYFJWAOXYZDF-UHFFFAOYSA-N |
Boiling Point: | 370.8 °C at 760 mmHg |
Density: | 1.492 g/cm3 |
MDL: | MFCD09475914 |
LogP: | 3.38890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111333512-A | Preparation of Aforana key intermediate 4-acetyl-1-naphthoate | 20200309 |
AU-2017228385-A1 | Substituted indole Mcl-1 inhibitors | 20160304 |
CA-3016182-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
JP-2019513697-A | Substituted indole Mcl-1 inhibitors | 20160304 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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