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144466-24-0 | Isoxazole, 5-(5-chloro-3-pentyn-1-yl)-3-methyl-
CAS No: 144466-24-0 Catalog No: AG001JL1 MDL No:MFCD20627036
Product Description
Catalog Number:
AG001JL1
Chemical Name:
Isoxazole, 5-(5-chloro-3-pentyn-1-yl)-3-methyl-
CAS Number:
144466-24-0
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD20627036
IUPAC Name:
5-(5-chloropent-3-ynyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C9H10ClNO/c1-8-7-9(12-11-8)5-3-2-4-6-10/h7H,3,5-6H2,1H3
InChI Key:
HUEMBQSULQYEMF-UHFFFAOYSA-N
SMILES:
ClCC#CCCc1onc(c1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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