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87675-22-7 | Acetamide, 2-chloro-N-2-propynyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
CAS No: 87675-22-7 Catalog No: AG004KF1 MDL No:
Product Description
Catalog Number:
AG004KF1
Chemical Name:
Acetamide, 2-chloro-N-2-propynyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
CAS Number:
87675-22-7
Molecular Formula:
C11H14ClN3O
Molecular Weight:
239.7014
IUPAC Name:
2-chloro-N-prop-2-ynyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
InChI:
InChI=1S/C11H14ClN3O/c1-5-6-15(10(16)7-12)11-8(2)13-14(4)9(11)3/h1H,6-7H2,2-4H3
InChI Key:
FEAJDQICCCRTSH-UHFFFAOYSA-N
SMILES:
C#CCN(c1c(C)nn(c1C)C)C(=O)CCl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.703g/mol
Monoisotopic Mass:
239.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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