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158980-57-5 | Benzoic acid, 4-bromo-3,5-bis(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS No: 158980-57-5 Catalog No: AG001R2F MDL No:
Product Description
Catalog Number:
AG001R2F
Chemical Name:
Benzoic acid, 4-bromo-3,5-bis(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS Number:
158980-57-5
Molecular Formula:
C25H25BrO4
Molecular Weight:
469.3676
IUPAC Name:
tert-butyl 4-bromo-3,5-bis(phenylmethoxy)benzoate
InChI:
InChI=1S/C25H25BrO4/c1-25(2,3)30-24(27)20-14-21(28-16-18-10-6-4-7-11-18)23(26)22(15-20)29-17-19-12-8-5-9-13-19/h4-15H,16-17H2,1-3H3
InChI Key:
FQDGKFPDOHUYRP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(OCc2ccccc2)c(c(c1)OCc1ccccc1)Br)OC(C)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.094g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.375g/mol
Monoisotopic Mass:
468.094g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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