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Home > Bromides > 1309933-50-3
1309933-50-3 | 4-Bromobenzyl-(2-iso-propylphenyl)ether
CAS No: 1309933-50-3 Catalog No: AG01FCB3 MDL No:
Product Description
Catalog Number:
AG01FCB3
Chemical Name:
4-Bromobenzyl-(2-iso-propylphenyl)ether
CAS Number:
1309933-50-3
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
1-bromo-4-[(2-propan-2-ylphenoxy)methyl]benzene
InChI:
InChI=1S/C16H17BrO/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12H,11H2,1-2H3
InChI Key:
CIJGHRFENMRQCM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1ccccc1C(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.215g/mol
Monoisotopic Mass:
304.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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