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133112-51-3 | 1H-Pyrazole, 4-bromo-3-(2,4-dichlorophenyl)-1-methyl-
CAS No: 133112-51-3 Catalog No: AG00149P MDL No:
Product Description
Catalog Number:
AG00149P
Chemical Name:
1H-Pyrazole, 4-bromo-3-(2,4-dichlorophenyl)-1-methyl-
CAS Number:
133112-51-3
Molecular Formula:
C10H7BrCl2N2
Molecular Weight:
305.9860
IUPAC Name:
4-bromo-3-(2,4-dichlorophenyl)-1-methylpyrazole
InChI:
InChI=1S/C10H7BrCl2N2/c1-15-5-8(11)10(14-15)7-3-2-6(12)4-9(7)13/h2-5H,1H3
InChI Key:
PVSGDEHAUPXEFA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1nn(cc1Br)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.917g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.984g/mol
Monoisotopic Mass:
303.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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