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823797-35-9 | 3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-
CAS No: 823797-35-9 Catalog No: AG0053B3 MDL No:
Product Description
Catalog Number:
AG0053B3
Chemical Name:
3H-Pyrazol-3-one, 1-(3-chloropropyl)-1,2-dihydro-
CAS Number:
823797-35-9
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
IUPAC Name:
2-(3-chloropropyl)-1H-pyrazol-5-one
InChI:
InChI=1S/C6H9ClN2O/c7-3-1-4-9-5-2-6(10)8-9/h2,5H,1,3-4H2,(H,8,10)
InChI Key:
RVIYQSADWKFRAC-UHFFFAOYSA-N
SMILES:
ClCCCn1ccc(=O)[nH]1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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