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1443328-94-6 | Cycloheptyl (3-bromo-4-fluorophenyl)methanol
CAS No: 1443328-94-6 Catalog No: AG01FAPC MDL No:
Product Description
Catalog Number:
AG01FAPC
Chemical Name:
Cycloheptyl (3-bromo-4-fluorophenyl)methanol
CAS Number:
1443328-94-6
Molecular Formula:
C14H18BrFO
Molecular Weight:
301.1945
IUPAC Name:
(3-bromo-4-fluorophenyl)-cycloheptylmethanol
InChI:
InChI=1S/C14H18BrFO/c15-12-9-11(7-8-13(12)16)14(17)10-5-3-1-2-4-6-10/h7-10,14,17H,1-6H2
InChI Key:
STSPSAYHOQWEOU-UHFFFAOYSA-N
SMILES:
OC(c1ccc(c(c1)Br)F)C1CCCCCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.199g/mol
Monoisotopic Mass:
300.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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