200,000+ products from a single source!
sales@angenechem.com
89227-19-0 | 1,4-Naphthalenedione, 5-[(4-bromophenyl)sulfinyl]-2,3-dimethoxy-
CAS No: 89227-19-0 Catalog No: AG0042ZB MDL No:
Product Description
Catalog Number:
AG0042ZB
Chemical Name:
1,4-Naphthalenedione, 5-[(4-bromophenyl)sulfinyl]-2,3-dimethoxy-
CAS Number:
89227-19-0
Molecular Formula:
C18H13BrO5S
Molecular Weight:
421.2618
IUPAC Name:
5-(4-bromophenyl)sulfinyl-2,3-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C18H13BrO5S/c1-23-17-15(20)12-4-3-5-13(14(12)16(21)18(17)24-2)25(22)11-8-6-10(19)7-9-11/h3-9H,1-2H3
InChI Key:
RXMQPIPDPCRMGT-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)c(ccc2)S(=O)c1ccc(cc1)Br
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.967g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.261g/mol
Monoisotopic Mass:
419.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
© 2019 Angene International Limited. All rights Reserved.