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1187385-91-6 | 4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl);phenyl);-1H-pyrazole
CAS No: 1187385-91-6 Catalog No: AG003KUL MDL No:MFCD12756456
Product Description
Catalog Number:
AG003KUL
Chemical Name:
4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl);phenyl);-1H-pyrazole
CAS Number:
1187385-91-6
Molecular Formula:
C13H14BrN3O2S
Molecular Weight:
356.2382
MDL Number:
MFCD12756456
IUPAC Name:
4-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole
InChI:
InChI=1S/C13H14BrN3O2S/c14-11-9-15-17(10-11)12-3-5-13(6-4-12)20(18,19)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2
InChI Key:
YZYSDVOOLVZULZ-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)N1CCCC1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.999g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.238g/mol
Monoisotopic Mass:
354.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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