Home Sulfos methyl 4-(chlorosulfonyl)-2-nitrobenzoate

methyl 4-(chlorosulfonyl)-2-nitrobenzoate

CAS No.:
1909317-51-6
Catalog Number:
AG01C1OB
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
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Product Description
Catalog Number:
AG01C1OB
Chemical Name:
methyl 4-(chlorosulfonyl)-2-nitrobenzoate
CAS Number:
1909317-51-6
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
MDL Number:
MFCD29060281
IUPAC Name:
methyl 4-chlorosulfonyl-2-nitrobenzoate
InChI:
InChI=1S/C8H6ClNO6S/c1-16-8(11)6-3-2-5(17(9,14)15)4-7(6)10(12)13/h2-4H,1H3
InChI Key:
DDBXBJADABRSSO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl
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:
1.7  
Properties