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30880-66-1 | Benzenesulfonyl fluoride, 3-[[4-[(2-chloro-4-nitrophenoxy)methyl]benzoyl]amino]-
CAS No: 30880-66-1 Catalog No: AG0031KX MDL No:
Product Description
Catalog Number:
AG0031KX
Chemical Name:
Benzenesulfonyl fluoride, 3-[[4-[(2-chloro-4-nitrophenoxy)methyl]benzoyl]amino]-
CAS Number:
30880-66-1
Molecular Formula:
C20H14ClFN2O6S
Molecular Weight:
464.8514
IUPAC Name:
3-[[4-[(2-chloro-4-nitrophenoxy)methyl]benzoyl]amino]benzenesulfonyl fluoride
InChI:
InChI=1S/C20H14ClFN2O6S/c21-18-11-16(24(26)27)8-9-19(18)30-12-13-4-6-14(7-5-13)20(25)23-15-2-1-3-17(10-15)31(22,28)29/h1-11H,12H2,(H,23,25)
InChI Key:
PMJWNIRTYRCVOJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)COc1ccc(cc1Cl)[N+](=O)[O-])Nc1cccc(c1)S(=O)(=O)F
NSC Number:
151660
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.025g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.848g/mol
Monoisotopic Mass:
464.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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