Home Sulfos 2-Bromo-1-[4-(1-pyrrolidinylsulfonyl)phenyl] ethanone

2-Bromo-1-[4-(1-pyrrolidinylsulfonyl)phenyl] ethanone

CAS No.:
58722-38-6
Catalog Number:
AG00EF70
Molecular Formula:
C12H14BrNO3S
Molecular Weight:
332.2135
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Product Description
Catalog Number:
AG00EF70
Chemical Name:
2-Bromo-1-[4-(1-pyrrolidinylsulfonyl)phenyl] ethanone
CAS Number:
58722-38-6
Molecular Formula:
C12H14BrNO3S
Molecular Weight:
332.2135
MDL Number:
MFCD06356470
IUPAC Name:
2-bromo-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
InChI:
InChI=1S/C12H14BrNO3S/c13-9-12(15)10-3-5-11(6-4-10)18(16,17)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChI Key:
DNFXLQROGLQKEF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.988g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.212g/mol
Monoisotopic Mass:
330.988g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties