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Home Sulfos Benzoic acid, 4-(chlorosulfonyl)-3-nitro-, methyl ester

Benzoic acid, 4-(chlorosulfonyl)-3-nitro-, methyl ester

CAS No.:
162010-78-8
Catalog Number:
AG001SMU
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$111
- +
500mg
95%
In Stock USA
United States
$294
- +
Product Description
Catalog Number:
AG001SMU
Chemical Name:
Benzoic acid, 4-(chlorosulfonyl)-3-nitro-, methyl ester
CAS Number:
162010-78-8
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
MDL Number:
MFCD09863389
IUPAC Name:
methyl 4-chlorosulfonyl-3-nitrobenzoate
InChI:
InChI=1S/C8H6ClNO6S/c1-16-8(11)5-2-3-7(17(9,14)15)6(4-5)10(12)13/h2-4H,1H3
InChI Key:
QSCZSBGBDORDGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[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:
1.6  
Properties