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1003992-26-4 | 4-(4-Bromo-phenyl)-2-phenyl-2H-pyrazol-3-ylamine
CAS No: 1003992-26-4 Catalog No: AG01F9ES MDL No:
Product Description
Catalog Number:
AG01F9ES
Chemical Name:
4-(4-Bromo-phenyl)-2-phenyl-2H-pyrazol-3-ylamine
CAS Number:
1003992-26-4
Molecular Formula:
C15H12BrN3
Molecular Weight:
314.1799
IUPAC Name:
4-(4-bromophenyl)-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C15H12BrN3/c16-12-8-6-11(7-9-12)14-10-18-19(15(14)17)13-4-2-1-3-5-13/h1-10H,17H2
InChI Key:
AUCFGUZVXRNULP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cnn(c1N)c1ccccc1
Properties
Complexity:
285
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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