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100-82-3 | Benzenemethanamine, 3-fluoro-
CAS No: 100-82-3 Catalog No: AG00007X MDL No:MFCD00008113
Product Description
Catalog Number:
AG00007X
Chemical Name:
Benzenemethanamine, 3-fluoro-
CAS Number:
100-82-3
Molecular Formula:
C7H8FN
Molecular Weight:
125.1435
MDL Number:
MFCD00008113
IUPAC Name:
(3-fluorophenyl)methanamine
InChI:
InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChI Key:
QVSVMNXRLWSNGS-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)F
EC Number:
202-891-3
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.146g/mol
Monoisotopic Mass:
125.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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