Home Other Building Blocks 1-(4-fluorophenyl)butane-1,4-diol

1-(4-fluorophenyl)butane-1,4-diol

CAS No.:
1267310-14-4
Catalog Number:
AG01C48U
Molecular Formula:
C10H13FO2
Molecular Weight:
184.2074
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Product Description
Catalog Number:
AG01C48U
Chemical Name:
1-(4-fluorophenyl)butane-1,4-diol
CAS Number:
1267310-14-4
Molecular Formula:
C10H13FO2
Molecular Weight:
184.2074
MDL Number:
MFCD19313997
IUPAC Name:
1-(4-fluorophenyl)butane-1,4-diol
InChI:
InChI=1S/C10H13FO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,10,12-13H,1-2,7H2
InChI Key:
LUTUTNRRNQQBIC-UHFFFAOYSA-N
SMILES:
OCCCC(c1ccc(cc1)F)O
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.21g/mol
Monoisotopic Mass:
184.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties