Tris(1-chloro-2-propyl) phosphate

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Catalog Number
ACM13674845-2
Product Name
Tris(1-chloro-2-propyl) phosphate
Structure
Structure
CAS
13674-84-5
Category
Heterocyclic Organic Compound
Synonyms
Tris(2-chloro-1-methylethyl) ester
IUPAC Name
Tris(1-chloropropan-2-yl) phosphate
Molecular Weight
327.6
Molecular Formula
C9H18Cl3O4P
Canonical SMILES
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
InChI
InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
InChI Key
KVMPUXDNESXNOH-UHFFFAOYSA-N
Boiling Point
270 °C
Melting Point
-39.9 °C
Flash Point
-218 °C
Density
1.28 g/mL
Complexity
216
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
326.000829
Formal Charge
0
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
326.000829
Physical State
Liquid
Rotatable Bond Count
9
Topological Polar Surface Area
44.8 Ų
Undefined Atom Stereocenter Count
3
Undefined Bond Stereocenter Count
0
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