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51355-84-1 | 4-Bromo-1-chloromethyl-3,5-dimethyl-1H-pyrazole
CAS No: 51355-84-1 Catalog No: AG01EWAQ MDL No:
Product Description
Catalog Number:
AG01EWAQ
Chemical Name:
4-Bromo-1-chloromethyl-3,5-dimethyl-1H-pyrazole
CAS Number:
51355-84-1
Molecular Formula:
C6H8BrClN2
Molecular Weight:
223.4981
IUPAC Name:
4-bromo-1-(chloromethyl)-3,5-dimethylpyrazole
InChI:
InChI=1S/C6H8BrClN2/c1-4-6(7)5(2)10(3-8)9-4/h3H2,1-2H3
InChI Key:
XNBKTIXHTNDFSI-UHFFFAOYSA-N
SMILES:
ClCn1nc(c(c1C)Br)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.956g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.498g/mol
Monoisotopic Mass:
221.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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