| CAS Number | 32852-95-2 |
| Catalog Number | AG00382V(AGN-PC-0R87SN) |
| Chemical Name | 2-(3-phenoxyphenyl)propanenitrile |
| EC Number | 251-260-9 |
| IUPAC Name | 2-(3-phenoxyphenyl)propanenitrile |
| InChI | InChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3 |
| InChI Key | JSCONFOVXYGOST-UHFFFAOYSA-N |
| MDL Number | MFCD09744667 |
| Molecular Formula | C15H13NO |
| Molecular Weight | 223.2698 |
| SMILES | O(C1=CC=CC=C1)C=1C=C(C=CC1)C(C#N)C |
| Synonyms | 2-(3-Phenoxyphenyl)propiononitrile,
32852-95-2,
2-(3-phenoxyphenyl)propanenitrile,
2-(3-Phenoxyphenyl)propionitrile,
EINECS 251-260-9,
AC1Q4QQY,
AC1L3M0K,
SCHEMBL7035268,
CTK4G9430,
JSCONFOVXYGOST-UHFFFAOYSA-N,
alpha-(m-phenoxyphenyl)propionitrile,
alpha-(m-phenoxyphenyl)-propionitrile,
AKOS022506539,
ACM32852952,
Benzeneacetonitrile, a-methyl-3-phenoxy-,
C15-H13-N-O,
AR-1C7433,
CID118006,
33694-15-4,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.275g/mol |
| Monoisotopic Mass | 223.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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