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706819-89-8 | 1H-Pyrazole-4-carbonylchloride, 1-methyl-5-propyl-
CAS No: 706819-89-8 Catalog No: AG005GUP MDL No:
Product Description
Catalog Number:
AG005GUP
Chemical Name:
1H-Pyrazole-4-carbonylchloride, 1-methyl-5-propyl-
CAS Number:
706819-89-8
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
IUPAC Name:
1-methyl-5-propylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C8H11ClN2O/c1-3-4-7-6(8(9)12)5-10-11(7)2/h5H,3-4H2,1-2H3
InChI Key:
UMHWOKHANGEIJP-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1CCC)C(=O)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.639g/mol
Monoisotopic Mass:
186.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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