200,000+ products from a single source!
sales@angenechem.com
145551-16-2 | Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-iodo-6-nitro- (9CI)
CAS No: 145551-16-2 Catalog No: AG001D5Z MDL No:
Product Description
Catalog Number:
AG001D5Z
Chemical Name:
Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-iodo-6-nitro- (9CI)
CAS Number:
145551-16-2
Molecular Formula:
C19H6Br4I2N2O9S
Molecular Weight:
1011.7489
IUPAC Name:
2-iodo-6-nitro-4-[4,5,6,7-tetrabromo-3-(4-hydroxy-3-iodo-5-nitrophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
InChI:
InChI=1S/C19H6Br4I2N2O9S/c20-12-11-18(15(23)14(22)13(12)21)37(34,35)36-19(11,5-1-7(24)16(28)9(3-5)26(30)31)6-2-8(25)17(29)10(4-6)27(32)33/h1-4,28-29H
InChI Key:
NMHYCKTXIQQVPE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)I)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(I)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1011.458g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1011.747g/mol
Monoisotopic Mass:
1007.462g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.