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101025-08-5 | Benzene, (11-bromoundecyl)-
CAS No: 101025-08-5 Catalog No: AG0003KI MDL No:
Product Description
Catalog Number:
AG0003KI
Chemical Name:
Benzene, (11-bromoundecyl)-
CAS Number:
101025-08-5
Molecular Formula:
C17H27Br
Molecular Weight:
311.3003
IUPAC Name:
11-bromoundecylbenzene
InChI:
InChI=1S/C17H27Br/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2
InChI Key:
YGENGEQZELQBSE-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCc1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.13g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.307g/mol
Monoisotopic Mass:
310.13g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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