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115438-18-1 | Benzoic acid, 2-[(aminosulfonyl)oxy]-
CAS No: 115438-18-1 Catalog No: AG000FZN MDL No:
Product Description
Catalog Number:
AG000FZN
Chemical Name:
Benzoic acid, 2-[(aminosulfonyl)oxy]-
CAS Number:
115438-18-1
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
IUPAC Name:
2-sulfamoyloxybenzoic acid
InChI:
InChI=1S/C7H7NO5S/c8-14(11,12)13-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChI Key:
QTSWEUQHTHVJLT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OS(=O)(=O)N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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