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15980-11-7 | Benzoic acid, 3-(azidosulfonyl)-
CAS No: 15980-11-7 Catalog No: AG001RF5 MDL No:
Product Description
Catalog Number:
AG001RF5
Chemical Name:
Benzoic acid, 3-(azidosulfonyl)-
CAS Number:
15980-11-7
Molecular Formula:
C7H5N3O4S
Molecular Weight:
227.1973
IUPAC Name:
3-azidosulfonylbenzoic acid
InChI:
InChI=1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)
InChI Key:
GZNPNQZOGITHGL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NS(=O)(=O)c1cccc(c1)C(=O)O
EC Number:
405-310-3
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.194g/mol
Monoisotopic Mass:
227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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