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123451-52-5 | 1-(chloromethyl)-4-methyl-1H-pyrazole hydrochloride
CAS No: 123451-52-5 Catalog No: AG01FI7Y MDL No:
Product Description
Catalog Number:
AG01FI7Y
Chemical Name:
1-(chloromethyl)-4-methyl-1H-pyrazole hydrochloride
CAS Number:
123451-52-5
Molecular Formula:
C5H8Cl2N2
Molecular Weight:
167.0364
IUPAC Name:
1-(chloromethyl)-4-methylpyrazole;hydrochloride
InChI:
InChI=1S/C5H7ClN2.ClH/c1-5-2-7-8(3-5)4-6;/h2-3H,4H2,1H3;1H
InChI Key:
IRCHHZGFYYEGMR-UHFFFAOYSA-N
SMILES:
Cc1cn(nc1)CCl.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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