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141583-90-6 | 3-Nonanol, 2-bromo-2-chloro-1,1,1-trifluoro-3-methyl-
CAS No: 141583-90-6 Catalog No: AG001GMT MDL No:
Product Description
Catalog Number:
AG001GMT
Chemical Name:
3-Nonanol, 2-bromo-2-chloro-1,1,1-trifluoro-3-methyl-
CAS Number:
141583-90-6
Molecular Formula:
C10H17BrClF3O
Molecular Weight:
325.5936
IUPAC Name:
2-bromo-2-chloro-1,1,1-trifluoro-3-methylnonan-3-ol
InChI:
InChI=1S/C10H17BrClF3O/c1-3-4-5-6-7-8(2,16)9(11,12)10(13,14)15/h16H,3-7H2,1-2H3
InChI Key:
ZTYVNUKJICCEPI-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(C(F)(F)F)(Br)Cl)(O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.594g/mol
Monoisotopic Mass:
324.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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