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69875-87-2 | Benzenemethanamine,2-fluoro-N-(phenylmethyl)-
CAS No: 69875-87-2 Catalog No: AG005HAY MDL No:MFCD01077506
Product Description
Catalog Number:
AG005HAY
Chemical Name:
Benzenemethanamine,2-fluoro-N-(phenylmethyl)-
CAS Number:
69875-87-2
Molecular Formula:
C14H14FN
Molecular Weight:
215.2661
MDL Number:
MFCD01077506
IUPAC Name:
N-[(2-fluorophenyl)methyl]-1-phenylmethanamine
InChI:
InChI=1S/C14H14FN/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChI Key:
PHIOLPRORSUAGJ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1CNCc1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.271g/mol
Monoisotopic Mass:
215.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase-encoded dynamic constitutional libraries: toward the discovery of isozyme-specific inhibitors. | Journal of medicinal chemistry 20090813 |
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