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Home > Bromides > 1191616-45-1
1191616-45-1 | 4-(4-Bromophenyl)-1-methyl-1H-pyrazole
CAS No: 1191616-45-1 Catalog No: AG003AUG MDL No:MFCD19322918
Product Description
Catalog Number:
AG003AUG
Chemical Name:
4-(4-Bromophenyl)-1-methyl-1H-pyrazole
CAS Number:
1191616-45-1
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD19322918
IUPAC Name:
4-(4-bromophenyl)-1-methylpyrazole
InChI:
InChI=1S/C10H9BrN2/c1-13-7-9(6-12-13)8-2-4-10(11)5-3-8/h2-7H,1H3
InChI Key:
NGFPKROKTIBKMD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cnn(c1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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