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Home Other Building Blocks (5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

(5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

CAS No.:
1567880-97-0
Catalog Number:
AG01BH06
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
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Product Description
Catalog Number:
AG01BH06
Chemical Name:
(5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CAS Number:
1567880-97-0
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD21295155
IUPAC Name:
(5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
InChI:
InChI=1S/C10H11FO2/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9,12H,2,5-6H2/t9-/m1/s1
InChI Key:
QSNJRSCASWPUDK-SECBINFHSA-N
SMILES:
O[C@@H]1CCCOc2c1cccc2F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties