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1111-97-3 | 3-Chloro-3-methyl-1-butyne
CAS No: 1111-97-3 Catalog No: AG0033NK MDL No:MFCD00190221
Product Description
Catalog Number:
AG0033NK
Chemical Name:
3-Chloro-3-methyl-1-butyne
CAS Number:
1111-97-3
Molecular Formula:
C5H7Cl
Molecular Weight:
102.5621
MDL Number:
MFCD00190221
IUPAC Name:
3-chloro-3-methylbut-1-yne
InChI:
InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
InChI Key:
QSILYWCNPOLKPN-UHFFFAOYSA-N
SMILES:
C#CC(Cl)(C)C
EC Number:
214-188-9
NSC Number:
16173
Properties
Complexity:
83.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.024g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.561g/mol
Monoisotopic Mass:
102.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis. | International journal of molecular sciences 20080901 |
| 1,6,6-Trimethyl-1H-chromeno[6,7-d]thia-zol-2(6H)-one. | Acta crystallographica. Section E, Structure reports online 20080501 |
| Benzofuro[3,2-f][1]benzopyrans: a new class of antitubercular agents. | Bioorganic & medicinal chemistry 20060801 |
| Synthesis and cytotoxic activity of benzo[a]pyrano[3,2-h] and [2,3-i]xanthone analogues of psorospermine, acronycine, and benzo[a]acronycine. | Chemical & pharmaceutical bulletin 20060801 |
| Synthesis and cytotoxic activity of pyranocarbazole analogues of ellipticine and acronycine. | Chemical & pharmaceutical bulletin 20040501 |
| Synthesis and cytotoxic activity of benzopyranoxanthone analogues of benz. | Chemical & pharmaceutical bulletin 20010601 |
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