| CAS Number | 1350543-67-7 |
| Catalog Number | AG00A01G(AGN-PC-0WNGKB) |
| Chemical Name | (Z)-3-(6-fluoro-1H-indol-3-yl)acrylonitrile |
| IUPAC Name | (Z)-3-(6-fluoro-1H-indol-3-yl)prop-2-enenitrile |
| InChI | InChI=1S/C11H7FN2/c12-9-3-4-10-8(2-1-5-13)7-14-11(10)6-9/h1-4,6-7,14H/b2-1- |
| InChI Key | PXZIHGFKKGMRNQ-UPHRSURJSA-N |
| MDL Number | MFCD27924179 |
| Molecular Formula | C11H7FN2 |
| Molecular Weight | 186.1851 |
| SMILES | N#C/C=Cc1c[nH]c2c1ccc(c2)F |
| Synonyms | (Z)-3-(6-Fluoro-1H-indol-3-yl)acrylonitrile,
1350543-67-7,
MFCD27924179,
AKOS027251458,
ZINC199388495,
DS-10001,
CS-0059709,
(Z)-3-(6-fluoro-1H-indol-3-yl)acrylonitrile, 95% - 1G 1g,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 186.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.189g/mol |
| Monoisotopic Mass | 186.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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