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149080-28-4 | Benzenebutanamine, 4-fluoro-
CAS No: 149080-28-4 Catalog No: AG001LDB MDL No:MFCD09886645
Product Description
Catalog Number:
AG001LDB
Chemical Name:
Benzenebutanamine, 4-fluoro-
CAS Number:
149080-28-4
Molecular Formula:
C10H14FN
Molecular Weight:
167.2233
MDL Number:
MFCD09886645
IUPAC Name:
4-(4-fluorophenyl)butan-1-amine
InChI:
InChI=1S/C10H14FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,1-3,8,12H2
InChI Key:
VIYIIBCNUSHUSE-UHFFFAOYSA-N
SMILES:
NCCCCc1ccc(cc1)F
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.227g/mol
Monoisotopic Mass:
167.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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