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1434128-56-9 | 5-(CHLOROMETHYL)-1-METHYLPYRAZOLE HCL
CAS No: 1434128-56-9 Catalog No: AG003M72 MDL No:MFCD24335262
Product Description
Catalog Number:
AG003M72
Chemical Name:
5-(CHLOROMETHYL)-1-METHYLPYRAZOLE HCL
CAS Number:
1434128-56-9
Molecular Formula:
C5H8Cl2N2
Molecular Weight:
167.0364
MDL Number:
MFCD24335262
IUPAC Name:
5-(chloromethyl)-1-methylpyrazole;hydrochloride
InChI:
InChI=1S/C5H7ClN2.ClH/c1-8-5(4-6)2-3-7-8;/h2-3H,4H2,1H3;1H
InChI Key:
PYQUBOXGUMHDLD-UHFFFAOYSA-N
SMILES:
Cn1nccc1CCl.Cl
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.033g/mol
Monoisotopic Mass:
166.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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