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Home > Bromides > 1269291-10-2
1269291-10-2 | 1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-5-phenyl-
CAS No: 1269291-10-2 Catalog No: AG000TH5 MDL No:MFCD19704856
Product Description
Catalog Number:
AG000TH5
Chemical Name:
1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-5-phenyl-
CAS Number:
1269291-10-2
Molecular Formula:
C13H15BrN2
Molecular Weight:
279.1756
MDL Number:
MFCD19704856
IUPAC Name:
4-bromo-1-tert-butyl-5-phenylpyrazole
InChI:
InChI=1S/C13H15BrN2/c1-13(2,3)16-12(11(14)9-15-16)10-7-5-4-6-8-10/h4-9H,1-3H3
InChI Key:
XJPZALIOQKEUGQ-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1c1ccccc1)C(C)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.181g/mol
Monoisotopic Mass:
278.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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