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1262220-70-1 | Cyclohexanol, 1-(3-bromo-2,5,6-trifluoro-4-methoxyphenyl)-4-propyl-
CAS No: 1262220-70-1 Catalog No: AG000SDD MDL No:
Product Description
Catalog Number:
AG000SDD
Chemical Name:
Cyclohexanol, 1-(3-bromo-2,5,6-trifluoro-4-methoxyphenyl)-4-propyl-
CAS Number:
1262220-70-1
Molecular Formula:
C16H20BrF3O2
Molecular Weight:
381.2280
IUPAC Name:
1-(3-bromo-2,5,6-trifluoro-4-methoxyphenyl)-4-propylcyclohexan-1-ol
InChI:
InChI=1S/C16H20BrF3O2/c1-3-4-9-5-7-16(21,8-6-9)10-12(18)11(17)15(22-2)14(20)13(10)19/h9,21H,3-8H2,1-2H3
InChI Key:
YEYMPCZQLSLEMQ-UHFFFAOYSA-N
SMILES:
CCCC1CCC(CC1)(O)c1c(F)c(F)c(c(c1F)Br)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.233g/mol
Monoisotopic Mass:
380.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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