Home Sulfos methyl 2-(chlorosulfonyl)-3-nitrobenzoate

methyl 2-(chlorosulfonyl)-3-nitrobenzoate

CAS No.:
1864061-83-5
Catalog Number:
AG01AULX
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
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Product Description
Catalog Number:
AG01AULX
Chemical Name:
methyl 2-(chlorosulfonyl)-3-nitrobenzoate
CAS Number:
1864061-83-5
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
MDL Number:
MFCD29041127
IUPAC Name:
methyl 2-chlorosulfonyl-3-nitrobenzoate
InChI:
InChI=1S/C8H6ClNO6S/c1-16-8(11)5-3-2-4-6(10(12)13)7(5)17(9,14)15/h2-4H,1H3
InChI Key:
BOGUGWIRAXBGLW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1S(=O)(=O)Cl)[N+](=O)[O-]
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.96g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.647g/mol
Monoisotopic Mass:
278.96g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties