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1275453-81-0 | 3-Bromobenzyl-(2-iso-propylphenyl)ether
CAS No: 1275453-81-0 Catalog No: AG01FCAE MDL No:
Product Description
Catalog Number:
AG01FCAE
Chemical Name:
3-Bromobenzyl-(2-iso-propylphenyl)ether
CAS Number:
1275453-81-0
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
1-bromo-3-[(2-propan-2-ylphenoxy)methyl]benzene
InChI:
InChI=1S/C16H17BrO/c1-12(2)15-8-3-4-9-16(15)18-11-13-6-5-7-14(17)10-13/h3-10,12H,11H2,1-2H3
InChI Key:
UVARMMUXURTZCK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccccc1C(C)C
Properties
Complexity:
241
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:
5.2
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