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890764-15-5 | 1-(3-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine
CAS No: 890764-15-5 Catalog No: AG0040XY MDL No:MFCD06738762
Product Description
Catalog Number:
AG0040XY
Chemical Name:
1-(3-Bromophenyl)-3-phenyl-1H-pyrazol-5-amine
CAS Number:
890764-15-5
Molecular Formula:
C15H12BrN3
Molecular Weight:
314.1799
MDL Number:
MFCD06738762
IUPAC Name:
2-(3-bromophenyl)-5-phenylpyrazol-3-amine
InChI:
InChI=1S/C15H12BrN3/c16-12-7-4-8-13(9-12)19-15(17)10-14(18-19)11-5-2-1-3-6-11/h1-10H,17H2
InChI Key:
PHIHEAAALRUYFH-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1nc(cc1N)c1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.186g/mol
Monoisotopic Mass:
313.021g/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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