Home Sulfos 3-carbamoyl-5-(chlorosulfonyl)benzoic acid

3-carbamoyl-5-(chlorosulfonyl)benzoic acid

CAS No.:
1099186-87-4
Catalog Number:
AG01BCET
Molecular Formula:
C8H6ClNO5S
Molecular Weight:
263.6549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCET
Chemical Name:
3-carbamoyl-5-(chlorosulfonyl)benzoic acid
CAS Number:
1099186-87-4
Molecular Formula:
C8H6ClNO5S
Molecular Weight:
263.6549
MDL Number:
MFCD11650170
IUPAC Name:
3-carbamoyl-5-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C8H6ClNO5S/c9-16(14,15)6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChI Key:
ONUSMLVZXXQCTP-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(cc(c1)S(=O)(=O)Cl)C(=O)O
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.966g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.648g/mol
Monoisotopic Mass:
262.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties