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30936-58-4 | Benzenesulfonyl fluoride, 2-chloro-4-[(2-chloro-4-nitrophenoxy)methyl]-
CAS No: 30936-58-4 Catalog No: AG0031PU MDL No:
Product Description
Catalog Number:
AG0031PU
Chemical Name:
Benzenesulfonyl fluoride, 2-chloro-4-[(2-chloro-4-nitrophenoxy)methyl]-
CAS Number:
30936-58-4
Molecular Formula:
C13H8Cl2FNO5S
Molecular Weight:
380.1757
IUPAC Name:
2-chloro-4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonyl fluoride
InChI:
InChI=1S/C13H8Cl2FNO5S/c14-10-6-9(17(18)19)2-3-12(10)22-7-8-1-4-13(11(15)5-8)23(16,20)21/h1-6H,7H2
InChI Key:
MCVNVDAIQPIQMV-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccc(c(c1)Cl)S(=O)(=O)F)[N+](=O)[O-]
NSC Number:
150520
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.948g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.167g/mol
Monoisotopic Mass:
378.948g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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