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857896-83-4 | Phosphoric acid, 4-bromo-2-formylphenyl bis(1,1-dimethylethyl) ester
CAS No: 857896-83-4 Catalog No: AG004RMF MDL No:
Product Description
Catalog Number:
AG004RMF
Chemical Name:
Phosphoric acid, 4-bromo-2-formylphenyl bis(1,1-dimethylethyl) ester
CAS Number:
857896-83-4
Molecular Formula:
C15H22BrO5P
Molecular Weight:
393.2099
IUPAC Name:
(4-bromo-2-formylphenyl) ditert-butyl phosphate
InChI:
InChI=1S/C15H22BrO5P/c1-14(2,3)20-22(18,21-15(4,5)6)19-13-8-7-12(16)9-11(13)10-17/h7-10H,1-6H3
InChI Key:
ACEKQFNKVYKRGL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OP(=O)(OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.039g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.214g/mol
Monoisotopic Mass:
392.039g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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