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54514-32-8 | 1-Bromo-2-iso-pentyloxybenzene
CAS No: 54514-32-8 Catalog No: AG01EWEX MDL No:
Product Description
Catalog Number:
AG01EWEX
Chemical Name:
1-Bromo-2-iso-pentyloxybenzene
CAS Number:
54514-32-8
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-bromo-2-(3-methylbutoxy)benzene
InChI:
InChI=1S/C11H15BrO/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3
InChI Key:
ALTUOVIARLDENN-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccccc1Br)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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