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2489-48-7 | Benzenesulfonyl fluoride, 3-[3-[[2-chloro-5-[(hexadecylamino)sulfonyl]phenyl]amino]-1,3-dioxopropyl]-
CAS No: 2489-48-7 Catalog No: AG002PR8 MDL No:
Product Description
Catalog Number:
AG002PR8
Chemical Name:
Benzenesulfonyl fluoride, 3-[3-[[2-chloro-5-[(hexadecylamino)sulfonyl]phenyl]amino]-1,3-dioxopropyl]-
CAS Number:
2489-48-7
Molecular Formula:
C31H44ClFN2O6S2
Molecular Weight:
659.2723
IUPAC Name:
4-(4-hydroxyphenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H8O4/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6,11H,(H,13,14)
InChI Key:
LQCBGQDCRBYBMK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(c(c1)NC(=O)CC(=O)c1cccc(c1)S(=O)(=O)F)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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