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158526-54-6 | 1-(2-Bromophenyl)-2-pentanol
CAS No: 158526-54-6 Catalog No: AG01EU9P MDL No:
Product Description
Catalog Number:
AG01EU9P
Chemical Name:
1-(2-Bromophenyl)-2-pentanol
CAS Number:
158526-54-6
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-(2-bromophenyl)pentan-2-ol
InChI:
InChI=1S/C11H15BrO/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7,10,13H,2,5,8H2,1H3
InChI Key:
LQBODDGSIRNLBZ-UHFFFAOYSA-N
SMILES:
CCCC(Cc1ccccc1Br)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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