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854260-62-1 | 1-Bromo-3-methyl-4-n-pentyloxybenzene
CAS No: 854260-62-1 Catalog No: AG01EXSY MDL No:
Product Description
Catalog Number:
AG01EXSY
Chemical Name:
1-Bromo-3-methyl-4-n-pentyloxybenzene
CAS Number:
854260-62-1
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
4-bromo-2-methyl-1-pentoxybenzene
InChI:
InChI=1S/C12H17BrO/c1-3-4-5-8-14-12-7-6-11(13)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
AVQLUDJLLXWOPR-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1C)Br
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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