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119540-35-1 | 1H-Pyrazole, 3-(bromomethyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)-
CAS No: 119540-35-1 Catalog No: AG000IXT MDL No:
Product Description
Catalog Number:
AG000IXT
Chemical Name:
1H-Pyrazole, 3-(bromomethyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)-
CAS Number:
119540-35-1
Molecular Formula:
C17H14BrClN2O
Molecular Weight:
377.6629
IUPAC Name:
3-(bromomethyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole
InChI:
InChI=1S/C17H14BrClN2O/c1-22-16-8-6-15(7-9-16)21-17(10-14(11-18)20-21)12-2-4-13(19)5-3-12/h2-10H,11H2,1H3
InChI Key:
DJSZJUUVRFWQBW-UHFFFAOYSA-N
SMILES:
BrCc1nn(c(c1)c1ccc(cc1)Cl)c1ccc(cc1)OC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.998g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.666g/mol
Monoisotopic Mass:
375.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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