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30885-87-1 | Benzenesulfonyl fluoride, 4-[[2-(3-nitrophenoxy)acetyl]amino]-
CAS No: 30885-87-1 Catalog No: AG0031L6 MDL No:
Product Description
Catalog Number:
AG0031L6
Chemical Name:
Benzenesulfonyl fluoride, 4-[[2-(3-nitrophenoxy)acetyl]amino]-
CAS Number:
30885-87-1
Molecular Formula:
C14H11FN2O6S
Molecular Weight:
354.3103
IUPAC Name:
4-[[2-(3-nitrophenoxy)acetyl]amino]benzenesulfonyl fluoride
InChI:
InChI=1S/C14H11FN2O6S/c15-24(21,22)13-6-4-10(5-7-13)16-14(18)9-23-12-3-1-2-11(8-12)17(19)20/h1-8H,9H2,(H,16,18)
InChI Key:
HCXSEGYMYGMDHQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)F)COc1cccc(c1)[N+](=O)[O-]
NSC Number:
212368
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.032g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.308g/mol
Monoisotopic Mass:
354.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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