| CAS Number | 1194377-14-4 |
| Catalog Number | AG00946L(AGN-PC-0WBDFX) |
| Chemical Name | 1-Cyclopentyl-4-iodo-1H-pyrazole |
| IUPAC Name | 1-cyclopentyl-4-iodopyrazole |
| InChI | InChI=1S/C8H11IN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2 |
| InChI Key | SWVDDTMQCDASQR-UHFFFAOYSA-N |
| MDL Number | MFCD13176539 |
| Molecular Formula | C8H11IN2 |
| Molecular Weight | 262.0908 |
| SMILES | IC1=CN(C2CCCC2)N=C1 |
| Synonyms | 1-CYCLOPENTYL-4-IODO-1H-PYRAZOLE,
1194377-14-4,
1-cyclopentyl-4-iodopyrazole,
C8H11IN2,
SCHEMBL14863089,
SWVDDTMQCDASQR-UHFFFAOYSA-N,
MFCD13176539,
SBB074035,
ZINC44790331,
AKOS013754090,
MCULE-9028166152,
AS-42728,
Z8091,
K-1372,
F2147-7073,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.094g/mol |
| Monoisotopic Mass | 261.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number