| CAS Number | 1260756-93-1 |
| Catalog Number | AG01C178 |
| Chemical Name | 1-(5-Bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C11H10BrNO/c1-14-10-3-2-8(12)6-9(10)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3 |
| InChI Key | SKGMEUYHZKVHIZ-UHFFFAOYSA-N |
| MDL Number | MFCD11036643 |
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 252.1072 |
| SMILES | COC1=C(C2(C#N)CC2)C=C(Br)C=C1 |
| Synonyms | 1260756-93-1,
1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile,
1-(5-Bromo-2-methoxyphenyl)cyclopropanecarbonitrile,
SCHEMBL15270493,
ZINC84589473,
AKOS023464313,
FCH1401418,
SY207392,
MFCD11036643 (95%),
EN300-246220,
Z1269189407,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.111g/mol |
| Monoisotopic Mass | 250.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number