Products for Research Use Only
RegisterLogin

HKOCl-4m

CAT: 0607-C8284-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-C8284-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2031170-88-2
Form
A solid
Molecular Formula
C63H61BrCl2N3O7P
Molecular Weight
1153.96
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

HKOCl-4m
CAS Number2031170-88-2
PubChem CID162642068
IUPAC Name[5-[4-[4-[9'-(3,5-dichloro-4-hydroxyphenoxy)-2',2',4'-trimethyl-3-oxospiro[2-benzofuran-1,6'-3,4-dihydrochromeno[3,2-g]quinoline]-1'-yl]butanoyl]piperazin-1-yl]-5-oxopentyl]-triphenylphosphanium bromide
Molecular FormulaC63H61BrCl2N3O7P
Molecular Weight1154.0
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count77
Formal Charge0
Complexity1920
SMILES
CC1CC(N(C2=CC3=C(C=C12)C4(C5=C(O3)C=C(C=C5)OC6=CC(=C(C(=C6)Cl)O)Cl)C7=CC=CC=C7C(=O)O4)CCCC(=O)N8CCN(CC8)C(=O)CCCC[P+](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1)(C)C.[Br-]
InChI
InChI=1S/C63H60Cl2N3O7P.BrH/c1-42-41-62(2,3)68(30-17-27-59(70)67-33-31-66(32-34-67)58(69)26-15-16-35-76(45-18-7-4-8-19-45,46-20-9-5-10-21-46)47-22-11-6-12-23-47)55-40-57-52(39-49(42)55)63(50-25-14-13-24-48(50)61(72)75-63)51-29-28-43(38-56(51)74-57)73-44-36-53(64)60(71)54(65)37-44;/h4-14,18-25,28-29,36-40,42H,15-17,26-27,30-35,41H2,1-3H3;1H
InChIKey
ZLHCHNQSAGGVMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HKOCl-4m
CAS: 2031170-88-2
CID: 162642068
Formula: C63H61BrCl2N3O7P
MW: 1154.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1154.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass1151.28076
Monoisotopic Mass1151.28076
Topological Polar Surface Area109 Ų
Heavy Atom Count77
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
C8268-5HKOCl-3
C8278-1HKOCl-4
C8268-1HKOCl-3
C8278-5HKOCl-4

Alternative Products

CatalogName
MBS5785524HKOCl-4m
T39431-01HKOCl-3
MBS5799914HKOCl-4
T203653-01DAR-4M
GW9618-1mgDAR-4M Solution
sc-221530DAR-4M AM
4031140.025Pyr-4MβNA
IBS-BL0014M Lithium Chloride
IBS-BP015a4M Potassium Chloride
CH1204M NaCl Solution

Popular Products