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174302-88-6 | Benzenepropanol, β-amino-2-fluoro-
CAS No: 174302-88-6 Catalog No: AG001ZLE MDL No:
Product Description
Catalog Number:
AG001ZLE
Chemical Name:
Benzenepropanol, β-amino-2-fluoro-
CAS Number:
174302-88-6
Molecular Formula:
C9H12FNO
Molecular Weight:
169.1961
IUPAC Name:
2-amino-3-(2-fluorophenyl)propan-1-ol
InChI:
InChI=1S/C9H12FNO/c10-9-4-2-1-3-7(9)5-8(11)6-12/h1-4,8,12H,5-6,11H2
InChI Key:
IPENTXMCVYZOPC-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccccc1F)N
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.199g/mol
Monoisotopic Mass:
169.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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