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144393-69-1 | 2-Propanol, 1,3-bis(bromophenoxy)- (9CI)
CAS No: 144393-69-1 Catalog No: AG001JFN MDL No:
Product Description
Catalog Number:
AG001JFN
Chemical Name:
2-Propanol, 1,3-bis(bromophenoxy)- (9CI)
CAS Number:
144393-69-1
Molecular Formula:
C15H14Br2O3
Molecular Weight:
402.0779
IUPAC Name:
1,3-bis(2-bromophenoxy)propan-2-ol
InChI:
InChI=1S/C15H14Br2O3/c16-12-5-1-3-7-14(12)19-9-11(18)10-20-15-8-4-2-6-13(15)17/h1-8,11,18H,9-10H2
InChI Key:
PPZFGSKBIQTCLP-UHFFFAOYSA-N
SMILES:
OC(COc1ccccc1Br)COc1ccccc1Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.929g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.082g/mol
Monoisotopic Mass:
399.931g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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