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91881-78-6 | 1-Bromo-2,6-dimethyl-4-iso-pentyloxybenzene
CAS No: 91881-78-6 Catalog No: AG01EZ9D MDL No:
Product Description
Catalog Number:
AG01EZ9D
Chemical Name:
1-Bromo-2,6-dimethyl-4-iso-pentyloxybenzene
CAS Number:
91881-78-6
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
IUPAC Name:
2-bromo-1,3-dimethyl-5-(3-methylbutoxy)benzene
InChI:
InChI=1S/C13H19BrO/c1-9(2)5-6-15-12-7-10(3)13(14)11(4)8-12/h7-9H,5-6H2,1-4H3
InChI Key:
NLSAFZNMEOITJI-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(C)c(c(c1)C)Br)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.198g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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