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914465-85-3 | (3-Fluoro-5-methoxyphenyl)methanamine
CAS No: 914465-85-3 Catalog No: AG003JGU MDL No:MFCD04116363
Product Description
Catalog Number:
AG003JGU
Chemical Name:
(3-Fluoro-5-methoxyphenyl)methanamine
CAS Number:
914465-85-3
Molecular Formula:
C8H10FNO
Molecular Weight:
155.1695
MDL Number:
MFCD04116363
IUPAC Name:
(3-fluoro-5-methoxyphenyl)methanamine
InChI:
InChI=1S/C8H10FNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChI Key:
TUXDABFLRWGPSS-UHFFFAOYSA-N
SMILES:
NCc1cc(OC)cc(c1)F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.172g/mol
Monoisotopic Mass:
155.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking. | Journal of medicinal chemistry 20061019 |
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