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13908-52-6 | Benzenesulfonyl fluoride, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS No: 13908-52-6 Catalog No: AG001A76 MDL No:
Product Description
Catalog Number:
AG001A76
Chemical Name:
Benzenesulfonyl fluoride, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS Number:
13908-52-6
Molecular Formula:
C9H10ClFN2O3S
Molecular Weight:
280.7037
IUPAC Name:
4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride
InChI:
InChI=1S/C9H10ClFN2O3S/c10-5-6-12-9(14)13-7-1-3-8(4-2-7)17(11,15)16/h1-4H,5-6H2,(H2,12,13,14)
InChI Key:
DDDOGOPONKIHSD-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)S(=O)(=O)F
NSC Number:
95988
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.698g/mol
Monoisotopic Mass:
280.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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