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Home Sulfos 4-[3-(4-Bromo-phenyl)-ureido]-2-chloro-benzene sulfonyl chloride

4-[3-(4-Bromo-phenyl)-ureido]-2-chloro-benzene sulfonyl chloride

CAS No.:
680617-67-8
Catalog Number:
AG01EWWX
Molecular Formula:
C13H9BrCl2N2O3S
Molecular Weight:
424.0972
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Product Description
Catalog Number:
AG01EWWX
Chemical Name:
4-[3-(4-Bromo-phenyl)-ureido]-2-chloro-benzene sulfonyl chloride
CAS Number:
680617-67-8
Molecular Formula:
C13H9BrCl2N2O3S
Molecular Weight:
424.0972
MDL Number:
MFCD03424935
IUPAC Name:
4-[(4-bromophenyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
InChI:
InChI=1S/C13H9BrCl2N2O3S/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-12(11(15)7-10)22(16,20)21/h1-7H,(H2,17,18,19)
InChI Key:
IISKNJDELZUIDX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)Nc1ccc(c(c1)Cl)S(=O)(=O)Cl
Properties
Complexity:
492  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.889g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
424.09g/mol
Monoisotopic Mass:
421.889g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties