tris(2-chloro-2-nitrobutyl) phosphate

CAS: 64037-38-3

Molecular Formula	`C12H21Cl3N3O10P`
Molecular Weight	504.6 g/mol
LogP	3.2
Topological Polar Surface Area	182.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	503.00302
Heavy Atoms	29
Complexity	571.0

Chemical Identifiers

CAS Number	64037-38-3
SMILES	`CCC(COP(=O)(OCC(CC)([N+](=O)[O-])Cl)OCC(CC)([N+](=O)[O-])Cl)([N+](=O)[O-])Cl`
InChIKey	`RMWZIPNZLJJXGY-UHFFFAOYSA-N`

📖 Product Overview

tris(2-chloro-2-nitrobutyl) phosphate (CAS: 64037-38-3) is a chemical compound with molecular formula C12H21Cl3N3O10P and molecular weight 504.6 g/mol. Its IUPAC systematic name is tris(2-chloro-2-nitrobutyl) phosphate. LogP 3.2 Topological Polar Surface Area 182.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 503.00302 Heavy Atoms 29 Complexity 571.0 InChI Key: RMWZIPNZLJJXGY-UHFFFAOYSA-N. SMILES: CCC(COP(=O)(OCC(CC)([N+](=O)[O-])Cl)OCC(CC)([N+](=O)[O-])Cl)([N+](=O)[O-])Cl.

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