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1549-77-5 | Butanoic acid, 4-(4-fluorophenoxy)-
CAS No: 1549-77-5 Catalog No: AG001NH2 MDL No:MFCD08446938
Product Description
Catalog Number:
AG001NH2
Chemical Name:
Butanoic acid, 4-(4-fluorophenoxy)-
CAS Number:
1549-77-5
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
MDL Number:
MFCD08446938
IUPAC Name:
4-(4-fluorophenoxy)butanoic acid
InChI:
InChI=1S/C10H11FO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChI Key:
NOAUECWRUPGSOJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccc(cc1)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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