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101488-65-7 | Benzenepropanamine, 4-fluoro-
CAS No: 101488-65-7 Catalog No: AG0004LN MDL No:MFCD07374078
Product Description
Catalog Number:
AG0004LN
Chemical Name:
Benzenepropanamine, 4-fluoro-
CAS Number:
101488-65-7
Molecular Formula:
C9H12FN
Molecular Weight:
153.1967
MDL Number:
MFCD07374078
IUPAC Name:
3-(4-fluorophenyl)propan-1-amine
InChI:
InChI=1S/C9H12FN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChI Key:
IIFDQESZTDBKEM-UHFFFAOYSA-N
SMILES:
NCCCc1ccc(cc1)F
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.2g/mol
Monoisotopic Mass:
153.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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