9,10-Bis(4-methoxyphenyl)-2-chloroanthracene - CAS 110904-87-5
Catalog: |
BB002689 |
Product Name: |
9,10-Bis(4-methoxyphenyl)-2-chloroanthracene |
CAS: |
110904-87-5 |
Synonyms: |
2-chloro-9,10-bis(4-methoxyphenyl)anthracene; 2-chloro-9,10-bis(4-methoxyphenyl)anthracene |
IUPAC Name: | 2-chloro-9,10-bis(4-methoxyphenyl)anthracene |
Description: | 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene (CAS# 110904-87-5) is a useful research chemical. |
Molecular Weight: | 424.92 |
Molecular Formula: | C28H21ClO2 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC)Cl |
InChI: | InChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3 |
InChI Key: | ONASMBRWDSADQY-UHFFFAOYSA-N |
Boiling Point: | 550 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
LogP: | 7.99760 |
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 |
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PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 565 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 424.1230076 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 424.1230076 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.2 |
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