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84968-04-7 | 1H-Pyrazole, 1-(chloromethyl)-
CAS No: 84968-04-7 Catalog No: AG004UK2 MDL No:MFCD08704317
Product Description
Catalog Number:
AG004UK2
Chemical Name:
1H-Pyrazole, 1-(chloromethyl)-
CAS Number:
84968-04-7
Molecular Formula:
C4H5ClN2
Molecular Weight:
116.5489
MDL Number:
MFCD08704317
IUPAC Name:
1-(chloromethyl)pyrazole
InChI:
InChI=1S/C4H5ClN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
InChI Key:
HBSKKAUPEAYDNB-UHFFFAOYSA-N
SMILES:
ClCn1cccn1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.548g/mol
Monoisotopic Mass:
116.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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