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1855907-44-6 | 4-(chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride
CAS No: 1855907-44-6 Catalog No: AG01FI70 MDL No:
Product Description
Catalog Number:
AG01FI70
Chemical Name:
4-(chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride
CAS Number:
1855907-44-6
Molecular Formula:
C6H9Cl2FN2
Molecular Weight:
199.0535
IUPAC Name:
4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride
InChI:
InChI=1S/C6H8ClFN2.ClH/c1-4-5(3-7)6(8)10(2)9-4;/h3H2,1-2H3;1H
InChI Key:
LAOHIFPLQPGWSD-UHFFFAOYSA-N
SMILES:
ClCc1c(C)nn(c1F)C.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.05g/mol
Monoisotopic Mass:
198.013g/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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