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677327-02-5 | 4-[3-(4-Bromo-phenyl)-ureido]-2-methyl-benzene sulfonyl chloride
CAS No: 677327-02-5 Catalog No: AG01EWW2 MDL No:MFCD03424869
Product Description
Catalog Number:
AG01EWW2
Chemical Name:
4-[3-(4-Bromo-phenyl)-ureido]-2-methyl-benzene sulfonyl chloride
CAS Number:
677327-02-5
Molecular Formula:
C14H12BrClN2O3S
Molecular Weight:
403.6787
MDL Number:
MFCD03424869
IUPAC Name:
4-[(4-bromophenyl)carbamoylamino]-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C14H12BrClN2O3S/c1-9-8-12(6-7-13(9)22(16,20)21)18-14(19)17-11-4-2-10(15)3-5-11/h2-8H,1H3,(H2,17,18,19)
InChI Key:
DXIRLUXWXUODDY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)Nc1ccc(c(c1)C)S(=O)(=O)Cl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.944g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.675g/mol
Monoisotopic Mass:
401.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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