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91560-98-4 | 1-Bromo-4-iso-butyloxy-2,6-dimethylbenzene
CAS No: 91560-98-4 Catalog No: AG01EZ2O MDL No:
Product Description
Catalog Number:
AG01EZ2O
Chemical Name:
1-Bromo-4-iso-butyloxy-2,6-dimethylbenzene
CAS Number:
91560-98-4
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
2-bromo-1,3-dimethyl-5-(2-methylpropoxy)benzene
InChI:
InChI=1S/C12H17BrO/c1-8(2)7-14-11-5-9(3)12(13)10(4)6-11/h5-6,8H,7H2,1-4H3
InChI Key:
MALUOMNAXSCDTH-UHFFFAOYSA-N
SMILES:
CC(COc1cc(C)c(c(c1)C)Br)C
Properties
Complexity:
158
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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