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123872-82-2 | Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester (9CI)
CAS No: 123872-82-2 Catalog No: AG000L7B MDL No:
Product Description
Catalog Number:
AG000L7B
Chemical Name:
Phosphonic acid, (1-methylethyl)-, bis(2,3,5-trimethylphenyl) ester (9CI)
CAS Number:
123872-82-2
Molecular Formula:
C21H29O3P
Molecular Weight:
360.4269
IUPAC Name:
1,2,5-trimethyl-3-[propan-2-yl-(2,3,5-trimethylphenoxy)phosphoryl]oxybenzene
InChI:
InChI=1S/C21H29O3P/c1-13(2)25(22,23-20-11-14(3)9-16(5)18(20)7)24-21-12-15(4)10-17(6)19(21)8/h9-13H,1-8H3
InChI Key:
IKDZWXXQZQXJHB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)OP(=O)(C(C)C)Oc1cc(C)cc(c1C)C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.434g/mol
Monoisotopic Mass:
360.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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