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Home > Fluorides > 678186-02-2
678186-02-2 | 4-Ethoxy-3-[3-(4-fluoro-phenyl)-ureido]-benzene sulfonyl chloride
CAS No: 678186-02-2 Catalog No: AG01EWWC MDL No:MFCD03424920
Product Description
Catalog Number:
AG01EWWC
Chemical Name:
4-Ethoxy-3-[3-(4-fluoro-phenyl)-ureido]-benzene sulfonyl chloride
CAS Number:
678186-02-2
Molecular Formula:
C15H14ClFN2O4S
Molecular Weight:
372.7991
MDL Number:
MFCD03424920
IUPAC Name:
4-ethoxy-3-[(4-fluorophenyl)carbamoylamino]benzenesulfonyl chloride
InChI:
InChI=1S/C15H14ClFN2O4S/c1-2-23-14-8-7-12(24(16,21)22)9-13(14)19-15(20)18-11-5-3-10(17)4-6-11/h3-9H,2H2,1H3,(H2,18,19,20)
InChI Key:
LFXXGBFUWJYFQO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1NC(=O)Nc1ccc(cc1)F)S(=O)(=O)Cl
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.035g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.795g/mol
Monoisotopic Mass:
372.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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