| CAS Number | 18804-36-9 |
| Catalog Number | AG002GO9(AGN-PC-0JO3ET) |
| Chemical Name | 1-Heptyne, 7-chloro- |
| IUPAC Name | 7-chlorohept-1-yne |
| InChI | InChI=1S/C7H11Cl/c1-2-3-4-5-6-7-8/h1H,3-7H2 |
| InChI Key | JHURUSBTPUNQSC-UHFFFAOYSA-N |
| MDL Number | MFCD19232028 |
| Molecular Formula | C7H11Cl |
| Molecular Weight | 130.6152 |
| NSC Number | 116031 |
| SMILES | ClCCCCCC#C |
| Synonyms | 7-chlorohept-1-yne,
18804-36-9,
1-Heptyne, 7-chloro-,
NSC116031,
1-chloro-6-heptyne,
AC1Q3ULW,
AC1L6R5Z,
SCHEMBL3679794,
CTK0I0261,
DTXSID40297452,
ZINC1705537,
AKOS006382360,
NSC-116031,
SC-52143,
AR-1H3386,
CID272000,
18910-12-8,
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| Complexity | 77.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.615g/mol |
| Monoisotopic Mass | 130.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number