| CAS Number | 1215104-00-9 |
| Catalog Number | AG01DTRQ(AGN-PC-0CVVX6) |
| Chemical Name | 1-(3-Nitrophenyl)cyclobutane-1-carbonitrile |
| IUPAC Name | 1-(3-nitrophenyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C11H10N2O2/c12-8-11(5-2-6-11)9-3-1-4-10(7-9)13(14)15/h1,3-4,7H,2,5-6H2 |
| InChI Key | HWARNLYPVCYXJB-UHFFFAOYSA-N |
| MDL Number | MFCD11036724 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | [N+](=O)([O-])C=1C=C(C=CC1)C1(CCC1)C#N |
| Synonyms | 1-(3-nitrophenyl)cyclobutane-1-carbonitrile,
1215104-00-9,
1-(3-nitrophenyl)cyclobutanecarbonitrile,
SCHEMBL3230158,
HWARNLYPVCYXJB-UHFFFAOYSA-N,
MFCD11036724,
AS-48711,
1-(3-nitro-phenyl)-cyclobutanecarbonitrile,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number