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146175-68-0 | 1H-Pyrazole, 1,1',1''-methylidynetris[4-bromo-3,5-dimethyl-
CAS No: 146175-68-0 Catalog No: AG001DS2 MDL No:
Product Description
Catalog Number:
AG001DS2
Chemical Name:
1H-Pyrazole, 1,1',1''-methylidynetris[4-bromo-3,5-dimethyl-
CAS Number:
146175-68-0
Molecular Formula:
C16H19Br3N6
Molecular Weight:
535.0743
IUPAC Name:
1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
InChI:
InChI=1S/C16H19Br3N6/c1-7-13(17)10(4)23(20-7)16(24-11(5)14(18)8(2)21-24)25-12(6)15(19)9(3)22-25/h16H,1-6H3
InChI Key:
XWHKWOJZKAOHHE-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)C(n1nc(c(c1C)Br)C)n1nc(c(c1C)Br)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.92g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.082g/mol
Monoisotopic Mass:
531.922g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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