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3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate

3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate - CAS 1391051-71-0

Catalog:	BB061795
Product Name:	3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate
CAS:	1391051-71-0
Synonyms:	3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate; [3,5-di(propan-2-yl)phenyl] phenyl (4-propan-2-ylphenyl) phosphate

Technical Data

Computed Properties

IUPAC Name:	[3,5-di(propan-2-yl)phenyl] phenyl (4-propan-2-ylphenyl) phosphate
Molecular Weight:	452.52
Molecular Formula:	C27H33O4P
Canonical SMILES:	CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC(=C3)C(C)C)C(C)C
InChI:	InChI=1S/C27H33O4P/c1-19(2)22-12-14-26(15-13-22)30-32(28,29-25-10-8-7-9-11-25)31-27-17-23(20(3)4)16-24(18-27)21(5)6/h7-21H,1-6H3
InChI Key:	YRHIJLBOQLOKIP-UHFFFAOYSA-N

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Complexity:	575
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	452.21164653
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	452.21164653
Rotatable Bond Count:	9
Topological Polar Surface Area:	44.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	8.3