tris(1-chloropropan-2-yl) phosphate

tris(1-chloropropan-2-yl) phosphate

CAS: 13674-84-5

Formula: C9H18Cl3O4P

SMILES: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl

IUPAC: tris(1-chloropropan-2-yl) phosphate

InChI: InChI=1/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3

Composition: C (33.00%), H (5.54%), Cl (32.47%), O (19.54%), P (9.46%)

Molar Mass: 327.56

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	326.0008292
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KVMPUXDNESXNOH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.39
Topological Polar Surface Area	44.76
Polarizability	28.46
Ring Count	0
Rotatable Bond Count	9

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