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90390-27-5 | 3,5-Difluorobenzylamine
CAS No: 90390-27-5 Catalog No: AG003IMV MDL No:MFCD00061244
Product Description
Catalog Number:
AG003IMV
Chemical Name:
3,5-Difluorobenzylamine
CAS Number:
90390-27-5
Molecular Formula:
C7H7F2N
Molecular Weight:
143.1340
MDL Number:
MFCD00061244
IUPAC Name:
(3,5-difluorophenyl)methanamine
InChI:
InChI=1S/C7H7F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChI Key:
VJNGGOMRUHYAMC-UHFFFAOYSA-N
SMILES:
NCc1cc(F)cc(c1)F
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.137g/mol
Monoisotopic Mass:
143.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Determination of sub-ppb epichlorohydrin levels in water by on-line solid-phase extraction liquid chromatography/tandem mass spectrometry. | Rapid communications in mass spectrometry : RCM 20090601 |
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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