200,000+ products from a single source!
sales@angenechem.com
645414-30-8 | Benzene, 1,4-bis(dodecyloxy)-2-iodo-5-(phenylethynyl)-
CAS No: 645414-30-8 Catalog No: AG00H60V MDL No:
Product Description
Catalog Number:
AG00H60V
Chemical Name:
Benzene, 1,4-bis(dodecyloxy)-2-iodo-5-(phenylethynyl)-
CAS Number:
645414-30-8
Molecular Formula:
C38H57IO2
Molecular Weight:
672.7625
IUPAC Name:
1,4-didodecoxy-2-iodo-5-(2-phenylethynyl)benzene
InChI:
InChI=1S/C38H57IO2/c1-3-5-7-9-11-13-15-17-19-24-30-40-37-33-36(39)38(32-35(37)29-28-34-26-22-21-23-27-34)41-31-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,32-33H,3-20,24-25,30-31H2,1-2H3
InChI Key:
WEPDDBDMMFENJD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(C#Cc2ccccc2)c(cc1I)OCCCCCCCCCCCC
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
672.34g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
672.776g/mol
Monoisotopic Mass:
672.34g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.