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155857-14-0 | 1H-Pyrazole, 4,5-bis(bromomethyl)-1,3-diphenyl-
CAS No: 155857-14-0 Catalog No: AG001OA8 MDL No:
Product Description
Catalog Number:
AG001OA8
Chemical Name:
1H-Pyrazole, 4,5-bis(bromomethyl)-1,3-diphenyl-
CAS Number:
155857-14-0
Molecular Formula:
C17H14Br2N2
Molecular Weight:
406.1145
IUPAC Name:
4,5-bis(bromomethyl)-1,3-diphenylpyrazole
InChI:
InChI=1S/C17H14Br2N2/c18-11-15-16(12-19)21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChI Key:
ASSICUPKDNESOA-UHFFFAOYSA-N
SMILES:
BrCc1c(nn(c1CBr)c1ccccc1)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.95g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.121g/mol
Monoisotopic Mass:
403.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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