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91560-97-3 | 1-Bromo-4-n-butyloxy-2,6-dimethylbenzene
CAS No: 91560-97-3 Catalog No: AG01EZ2N MDL No:
Product Description
Catalog Number:
AG01EZ2N
Chemical Name:
1-Bromo-4-n-butyloxy-2,6-dimethylbenzene
CAS Number:
91560-97-3
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
2-bromo-5-butoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C12H17BrO/c1-4-5-6-14-11-7-9(2)12(13)10(3)8-11/h7-8H,4-6H2,1-3H3
InChI Key:
TZILHQINDNOUDY-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
148
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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