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30885-86-0 | Benzenesulfonyl fluoride, 4-[[5-(2-chloro-4-nitrophenoxy)-1-oxopentyl]amino]-
CAS No: 30885-86-0 Catalog No: AG0031L7 MDL No:
Product Description
Catalog Number:
AG0031L7
Chemical Name:
Benzenesulfonyl fluoride, 4-[[5-(2-chloro-4-nitrophenoxy)-1-oxopentyl]amino]-
CAS Number:
30885-86-0
Molecular Formula:
C17H16ClFN2O6S
Molecular Weight:
430.8351
IUPAC Name:
4-[5-(2-chloro-4-nitrophenoxy)pentanoylamino]benzenesulfonyl fluoride
InChI:
InChI=1S/C17H16ClFN2O6S/c18-15-11-13(21(23)24)6-9-16(15)27-10-2-1-3-17(22)20-12-4-7-14(8-5-12)28(19,25)26/h4-9,11H,1-3,10H2,(H,20,22)
InChI Key:
CRJWJRKKYQXQED-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)F)CCCCOc1ccc(cc1Cl)[N+](=O)[O-]
NSC Number:
212378
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.04g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.831g/mol
Monoisotopic Mass:
430.04g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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