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176250-99-0 | 1-bromo-4-butoxy-2-methylbenzene
CAS No: 176250-99-0 Catalog No: AG01DD1Y MDL No:MFCD18447587
Product Description
Catalog Number:
AG01DD1Y
Chemical Name:
1-bromo-4-butoxy-2-methylbenzene
CAS Number:
176250-99-0
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
MDL Number:
MFCD18447587
IUPAC Name:
1-bromo-4-butoxy-2-methylbenzene
InChI:
InChI=1S/C11H15BrO/c1-3-4-7-13-10-5-6-11(12)9(2)8-10/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
JOENTWFSYBKJRL-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)C)Br
Properties
Complexity:
138
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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