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160512-71-0 | 1,3-Benzenediol, 5-(7-bromo-1,1-dimethylheptyl)-
CAS No: 160512-71-0 Catalog No: AG001RZB MDL No:
Product Description
Catalog Number:
AG001RZB
Chemical Name:
1,3-Benzenediol, 5-(7-bromo-1,1-dimethylheptyl)-
CAS Number:
160512-71-0
Molecular Formula:
C15H23BrO2
Molecular Weight:
315.2459
IUPAC Name:
5-(8-bromo-2-methyloctan-2-yl)benzene-1,3-diol
InChI:
InChI=1S/C15H23BrO2/c1-15(2,7-5-3-4-6-8-16)12-9-13(17)11-14(18)10-12/h9-11,17-18H,3-8H2,1-2H3
InChI Key:
GORNOJVKPDJAQT-UHFFFAOYSA-N
SMILES:
BrCCCCCCC(c1cc(O)cc(c1)O)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.251g/mol
Monoisotopic Mass:
314.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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