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119454-89-6 | Benzene, 1-(4-bromobutoxy)-4-phenoxy-
CAS No: 119454-89-6 Catalog No: AG000ITO MDL No:MFCD12542320
Product Description
Catalog Number:
AG000ITO
Chemical Name:
Benzene, 1-(4-bromobutoxy)-4-phenoxy-
CAS Number:
119454-89-6
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
MDL Number:
MFCD12542320
IUPAC Name:
1-(4-bromobutoxy)-4-phenoxybenzene
InChI:
InChI=1S/C16H17BrO2/c17-12-4-5-13-18-14-8-10-16(11-9-14)19-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2
InChI Key:
TZWHGMOBHDECOQ-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.214g/mol
Monoisotopic Mass:
320.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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