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20945-70-4 | Benzenamine, 2-methoxy-5-(methylsulfonyl)-
CAS No: 20945-70-4 Catalog No: AG002K8W MDL No:MFCD03407993
Product Description
Catalog Number:
AG002K8W
Chemical Name:
Benzenamine, 2-methoxy-5-(methylsulfonyl)-
CAS Number:
20945-70-4
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD03407993
IUPAC Name:
2-methoxy-5-methylsulfonylaniline
InChI:
InChI=1S/C8H11NO3S/c1-12-8-4-3-6(5-7(8)9)13(2,10)11/h3-5H,9H2,1-2H3
InChI Key:
VHPBBGKGMPAVPE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)S(=O)(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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