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Home Halogens 9,10-Bis(4-methoxyphenyl)-2-chloroanthracene

9,10-Bis(4-methoxyphenyl)-2-chloroanthracene

CAS No.:
110904-87-5
Catalog Number:
AG0034EX
Molecular Formula:
C28H21ClO2
Molecular Weight:
424.9181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%
In Stock USA
United States
$33
- +
5g
>95%
In Stock USA
United States
$61
- +
Product Description
Catalog Number:
AG0034EX
Chemical Name:
9,10-Bis(4-methoxyphenyl)-2-chloroanthracene
CAS Number:
110904-87-5
Molecular Formula:
C28H21ClO2
Molecular Weight:
424.9181
MDL Number:
MFCD00009935
IUPAC Name:
2-chloro-9,10-bis(4-methoxyphenyl)anthracene
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
SMILES:
COc1ccc(cc1)c1c2ccccc2c(c2c1cc(Cl)cc2)c1ccc(cc1)OC
Properties
Complexity:
565  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.123g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.924g/mol
Monoisotopic Mass:
424.123g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties