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1309933-49-0 | 2-Bromobenzyl-(4-n-butylphenyl)ether
CAS No: 1309933-49-0 Catalog No: AG01FDHP MDL No:
Product Description
Catalog Number:
AG01FDHP
Chemical Name:
2-Bromobenzyl-(4-n-butylphenyl)ether
CAS Number:
1309933-49-0
Molecular Formula:
C17H19BrO
Molecular Weight:
319.2362
IUPAC Name:
1-bromo-2-[(4-butylphenoxy)methyl]benzene
InChI:
InChI=1S/C17H19BrO/c1-2-3-6-14-9-11-16(12-10-14)19-13-15-7-4-5-8-17(15)18/h4-5,7-12H,2-3,6,13H2,1H3
InChI Key:
JXAFHKKERLJAEN-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)OCc1ccccc1Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.242g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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