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30885-52-0 | Benzenesulfonyl fluoride, 3-chloro-2-[(2-chloro-4-nitrophenoxy)methyl]-
CAS No: 30885-52-0 Catalog No: AG0031LH MDL No:
Product Description
Catalog Number:
AG0031LH
Chemical Name:
Benzenesulfonyl fluoride, 3-chloro-2-[(2-chloro-4-nitrophenoxy)methyl]-
CAS Number:
30885-52-0
Molecular Formula:
C13H8Cl2FNO5S
Molecular Weight:
380.1757
IUPAC Name:
3-chloro-2-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonyl fluoride
InChI:
InChI=1S/C13H8Cl2FNO5S/c14-10-2-1-3-13(23(16,20)21)9(10)7-22-12-5-4-8(17(18)19)6-11(12)15/h1-6H,7H2
InChI Key:
HABYJQPHRHYOEA-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1c(Cl)cccc1S(=O)(=O)F)[N+](=O)[O-]
NSC Number:
212375
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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