| CAS Number | 1163707-56-9 |
| Catalog Number | AG000CBG(AGN-PC-0BSZRH) |
| Chemical Name | 1-(4-Bromopyridin-2-yl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(4-bromopyridin-2-yl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C9H7BrN2/c10-7-1-4-12-8(5-7)9(6-11)2-3-9/h1,4-5H,2-3H2 |
| InChI Key | MDMVBPTVKDMKFG-UHFFFAOYSA-N |
| MDL Number | MFCD13191450 |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.0693 |
| SMILES | BrC1=CC(C2(C#N)CC2)=NC=C1 |
| Synonyms | 1-(4-Bromopyridin-2-yl)cyclopropanecarbonitrile,
1163707-56-9,
1-(4-bromopyridin-2-yl)cyclopropane-1-carbonitrile,
SCHEMBL1938995,
DTXSID90726262,
MDMVBPTVKDMKFG-UHFFFAOYSA-N,
2683AA,
QC-892,
ZINC91302208,
AKOS016000483,
FCH1381519,
AJ-130334,
AX8244312,
CS-0079208,
1-(4-bromo-pyridin-2-yl)-cyclopropanecarbonitrile,
C9H7BrN2,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.073g/mol |
| Monoisotopic Mass | 221.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number