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1216-96-2 | Phenol, 2-amino-, 1-(4-methylbenzenesulfonate)
CAS No: 1216-96-2 Catalog No: AG0015E2 MDL No:MFCD08277613
Product Description
Catalog Number:
AG0015E2
Chemical Name:
Phenol, 2-amino-, 1-(4-methylbenzenesulfonate)
CAS Number:
1216-96-2
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
MDL Number:
MFCD08277613
IUPAC Name:
(2-aminophenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H13NO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
InChI Key:
CUIMKKRVBCYKOP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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