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Home > Fluorides > 874904-54-8
874904-54-8 | 1,4-Butanediol, 1-(3-fluorophenyl)-
CAS No: 874904-54-8 Catalog No: AG004DTN MDL No:
Product Description
Catalog Number:
AG004DTN
Chemical Name:
1,4-Butanediol, 1-(3-fluorophenyl)-
CAS Number:
874904-54-8
Molecular Formula:
C10H13FO2
Molecular Weight:
184.2074
IUPAC Name:
1-(3-fluorophenyl)butane-1,4-diol
InChI:
InChI=1S/C10H13FO2/c11-9-4-1-3-8(7-9)10(13)5-2-6-12/h1,3-4,7,10,12-13H,2,5-6H2
InChI Key:
IINKVEORTXTOIK-UHFFFAOYSA-N
SMILES:
OCCCC(c1cccc(c1)F)O
Properties
Complexity:
141
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
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