Home Other Building Blocks 2-(4-fluorophenyl)-1,3-propanediol

2-(4-fluorophenyl)-1,3-propanediol

CAS No.:
204201-52-5
Catalog Number:
AG01DZ94
Molecular Formula:
C9H11FO2
Molecular Weight:
170.1808
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Product Description
Catalog Number:
AG01DZ94
Chemical Name:
2-(4-fluorophenyl)-1,3-propanediol
CAS Number:
204201-52-5
Molecular Formula:
C9H11FO2
Molecular Weight:
170.1808
MDL Number:
MFCD06203012
IUPAC Name:
2-(4-fluorophenyl)propane-1,3-diol
InChI:
InChI=1S/C9H11FO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,11-12H,5-6H2
InChI Key:
PFYTWIIZQFTTOS-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)F)CO
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.183g/mol
Monoisotopic Mass:
170.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties