200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1219501-17-3
1219501-17-3 | Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4,5,9,10-tetrabromo-2,7-bis(2-octyldodecyl)-
CAS No: 1219501-17-3 Catalog No: AG0016GC MDL No:
Product Description
Catalog Number:
AG0016GC
Chemical Name:
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4,5,9,10-tetrabromo-2,7-bis(2-octyldodecyl)-
CAS Number:
1219501-17-3
Molecular Formula:
C54H82Br4N2O4
Molecular Weight:
1142.8559
IUPAC Name:
2,3,9,10-tetrabromo-6,13-bis(2-octyldodecyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
InChI:
InChI=1S/C54H82Br4N2O4/c1-5-9-13-17-21-23-27-31-35-39(33-29-25-19-15-11-7-3)37-59-51(61)43-41-42-45(49(57)47(43)55)53(63)60(54(64)46(42)50(58)48(56)44(41)52(59)62)38-40(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h39-40H,5-38H2,1-4H3
InChI Key:
HJKIMHOHQGVMNN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(Cn1c(=O)c2c(Br)c(Br)c3c4c2c(c1=O)c(Br)c(c4c(=O)n(c3=O)CC(CCCCCCCCCC)CCCCCCCC)Br)CCCCCCCC
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1142.297g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1142.876g/mol
Monoisotopic Mass:
1138.301g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
23.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.