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SB-332235

CAT: 1596-AR-U01095-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01095-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
276702-15-9
Synonyms
6-Chloro-3-[[[ (2,3-dichlorophenyl) amino]carbonyl]amino]-2-hydroxybenzenesulfonamide; N- (4-Chloro-2-hydroxy-3-aminosulfonylphenyl) -N'- (2,3-dichlorophenyl) urea
Molecular Formula
C13H10Cl3N3O4S
Molecular Weight
410.67
API Name
Urea

Chemical Information

SB-332235
CAS Number276702-15-9
PubChem CID9887803
IUPAC Name1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
Molecular FormulaC13H10Cl3N3O4S
Molecular Weight410.7
XLogP3.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity559
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O
InChI
InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
InChIKey
WTLRWOHEKQGKDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-332235
CAS: 276702-15-9
CID: 9887803
Formula: C13H10Cl3N3O4S
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass408.945760
Monoisotopic Mass408.945760
Topological Polar Surface Area130 Ų
Heavy Atom Count24
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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