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24834-98-8 | 3-Pyrazolidinone, 1-(4-bromophenyl)-
CAS No: 24834-98-8 Catalog No: AG002PM2 MDL No:
Product Description
Catalog Number:
AG002PM2
Chemical Name:
3-Pyrazolidinone, 1-(4-bromophenyl)-
CAS Number:
24834-98-8
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
IUPAC Name:
1-(4-bromophenyl)pyrazolidin-3-one
InChI:
InChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)
InChI Key:
GWDSGOHVPDCTMD-UHFFFAOYSA-N
SMILES:
O=C1CCN(N1)c1ccc(cc1)Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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