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156972-89-3 | Benzenesulfonamide, 2-bromo-N-[(propylamino)carbonyl]-
CAS No: 156972-89-3 Catalog No: AG001P4O MDL No:
Product Description
Catalog Number:
AG001P4O
Chemical Name:
Benzenesulfonamide, 2-bromo-N-[(propylamino)carbonyl]-
CAS Number:
156972-89-3
Molecular Formula:
C10H13BrN2O3S
Molecular Weight:
321.1908
IUPAC Name:
1-(2-bromophenyl)sulfonyl-3-propylurea
InChI:
InChI=1S/C10H13BrN2O3S/c1-2-7-12-10(14)13-17(15,16)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChI Key:
XZYYRNKNYYMSTQ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)NS(=O)(=O)c1ccccc1Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.983g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.189g/mol
Monoisotopic Mass:
319.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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