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2044702-76-1 | 6-(3-((4-Bromophenyl)sulfonyl)ureido)hexanoic acid
CAS No: 2044702-76-1 Catalog No: AG01EN2G MDL No:
Product Description
Catalog Number:
AG01EN2G
Chemical Name:
6-(3-((4-Bromophenyl)sulfonyl)ureido)hexanoic acid
CAS Number:
2044702-76-1
IUPAC Name:
6-[(4-bromophenyl)sulfonylcarbamoylamino]hexanoic acid
InChI:
InChI=1S/C13H17BrN2O5S/c14-10-5-7-11(8-6-10)22(20,21)16-13(19)15-9-3-1-2-4-12(17)18/h5-8H,1-4,9H2,(H,17,18)(H2,15,16,19)
InChI Key:
XCZVADACNZWZHS-UHFFFAOYSA-N
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.004g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.252g/mol
Monoisotopic Mass:
392.004g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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