| CAS Number | 876918-30-8 |
| Catalog Number | AG004NS8(AGN-PC-0HB822) |
| Chemical Name | 5-Bromo-2-(piperidin-1-yl)benzonitrile |
| IUPAC Name | 5-bromo-2-piperidin-1-ylbenzonitrile |
| InChI | InChI=1S/C12H13BrN2/c13-11-4-5-12(10(8-11)9-14)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2 |
| InChI Key | WOAHPAAQAVSBEO-UHFFFAOYSA-N |
| MDL Number | MFCD11037627 |
| Molecular Formula | C12H13BrN2 |
| Molecular Weight | 265.1490 |
| SMILES | N#CC1=CC(Br)=CC=C1N2CCCCC2 |
| Synonyms | 5-Bromo-2-(piperidin-1-yl)benzonitrile,
876918-30-8,
ACMC-209qpd,
SCHEMBL1331262,
CTK8B2540,
DTXSID60736176,
WOAHPAAQAVSBEO-UHFFFAOYSA-N,
ANW-38879,
MFCD11037627,
ZINC82046451,
5-bromo-2-piperidin-1-ylbenzonitrile,
AKOS016001038,
CJ-22002,
AJ-124148,
Benzonitrile, 5-bromo-2-(1-piperidinyl)-,
TC-127624,
V8536,
B-8734,
C12H13BrN2,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.154g/mol |
| Monoisotopic Mass | 264.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number