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872171-45-4 | 1-(3-Bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-amine
CAS No: 872171-45-4 Catalog No: AG004MUT MDL No:MFCD04115096
Product Description
Catalog Number:
AG004MUT
Chemical Name:
1-(3-Bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-amine
CAS Number:
872171-45-4
Molecular Formula:
C13H16BrN3
Molecular Weight:
294.1902
MDL Number:
MFCD04115096
IUPAC Name:
2-(3-bromophenyl)-5-tert-butylpyrazol-3-amine
InChI:
InChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChI Key:
HWIOMBXSAUXKSK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1nc(cc1N)C(C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.196g/mol
Monoisotopic Mass:
293.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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