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174747-95-6 | 1-Hexanol, 2-(bromomethyl)-2-butyl-
CAS No: 174747-95-6 Catalog No: AG001ZXJ MDL No:
Product Description
Catalog Number:
AG001ZXJ
Chemical Name:
1-Hexanol, 2-(bromomethyl)-2-butyl-
CAS Number:
174747-95-6
Molecular Formula:
C11H23BrO
Molecular Weight:
251.2037
IUPAC Name:
2-(bromomethyl)-2-butylhexan-1-ol
InChI:
InChI=1S/C11H23BrO/c1-3-5-7-11(9-12,10-13)8-6-4-2/h13H,3-10H2,1-2H3
InChI Key:
AUOXFELRSAFJEH-UHFFFAOYSA-N
SMILES:
CCCCC(CCCC)(CBr)CO
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.208g/mol
Monoisotopic Mass:
250.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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