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Home > Bromides > 1245126-36-6
1245126-36-6 | 1H-Pyrazole, 5-bromo-1-(2-methylphenyl)-3-phenyl-
CAS No: 1245126-36-6 Catalog No: AG000M4J MDL No:
Product Description
Catalog Number:
AG000M4J
Chemical Name:
1H-Pyrazole, 5-bromo-1-(2-methylphenyl)-3-phenyl-
CAS Number:
1245126-36-6
Molecular Formula:
C16H13BrN2
Molecular Weight:
313.1918
IUPAC Name:
5-bromo-1-(2-methylphenyl)-3-phenylpyrazole
InChI:
InChI=1S/C16H13BrN2/c1-12-7-5-6-10-15(12)19-16(17)11-14(18-19)13-8-3-2-4-9-13/h2-11H,1H3
InChI Key:
MKHGUCFKDNNHAF-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1nc(cc1Br)c1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.198g/mol
Monoisotopic Mass:
312.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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