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91345-76-5 | 1-Bromo-2,6-dimethyl-4-n-propyloxybenzene
CAS No: 91345-76-5 Catalog No: AG01EZ0Y MDL No:
Product Description
Catalog Number:
AG01EZ0Y
Chemical Name:
1-Bromo-2,6-dimethyl-4-n-propyloxybenzene
CAS Number:
91345-76-5
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
2-bromo-1,3-dimethyl-5-propoxybenzene
InChI:
InChI=1S/C11H15BrO/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h6-7H,4-5H2,1-3H3
InChI Key:
UBDBSVZGKAOFEZ-UHFFFAOYSA-N
SMILES:
CCCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
137
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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