| CAS Number | 13790-83-5 |
| Catalog Number | AG00HV42(AGN-PC-0WRAF3) |
| Chemical Name | 2-Cyano-6-fluoronaphthalene |
| IUPAC Name | 6-fluoronaphthalene-2-carbonitrile |
| InChI | InChI=1S/C11H6FN/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-6H |
| InChI Key | YVCTUSUDLMFLQB-UHFFFAOYSA-N |
| MDL Number | MFCD12922839 |
| Molecular Formula | C11H6FN |
| Molecular Weight | 171.1704 |
| SMILES | FC2(=CC1(=C(C=C(C#N)C=C1)C=C2)) |
| Synonyms | 6-Fluoro-2-naphthonitrile,
13790-83-5,
2-Cyano-6-fluoronaphthalene,
6-Fluoronaphthalene-2-carbonitrile,
SCHEMBL19176615,
CTK7C8329,
KS-00003QW1,
ZX-AP002299,
MFCD12922839,
PC6244,
SBB088497,
ZINC44831800,
AKOS023798007,
FCH1123093,
PS-6764,
AK497710,
AX8327571,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.174g/mol |
| Monoisotopic Mass | 171.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number