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141033-47-8 | Phosphoric acid, [2-(bromomethyl)phenyl]methyl cyclohexyl 2-phenylethyl ester
CAS No: 141033-47-8 Catalog No: AG001FRU MDL No:
Product Description
Catalog Number:
AG001FRU
Chemical Name:
Phosphoric acid, [2-(bromomethyl)phenyl]methyl cyclohexyl 2-phenylethyl ester
CAS Number:
141033-47-8
Molecular Formula:
C22H28BrO4P
Molecular Weight:
467.3331
IUPAC Name:
[2-(bromomethyl)phenyl]methyl (2-cyclohexyl-2-phenylethyl) phosphate
InChI:
InChI=1S/C22H28BrO4P/c23-15-20-13-7-8-14-21(20)16-26-28(24,25)27-17-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,22H,2,5-6,11-12,15-17H2,(H,24,25)/p-1
InChI Key:
FZDILNMBRZSMKM-UHFFFAOYSA-M
SMILES:
BrCc1ccccc1COP(=O)(OC1CCCCC1)OCCc1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.083g/mol
Formal Charge:
-1
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.332g/mol
Monoisotopic Mass:
465.083g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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