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Home > Pyridines > 1094455-96-5
1094455-96-5 | 4-methoxy-3-(pyridine-2-amido)benzene-1-sulfonyl chloride
CAS No: 1094455-96-5 Catalog No: AG01AAJQ MDL No:MFCD13463519
Product Description
Catalog Number:
AG01AAJQ
Chemical Name:
4-methoxy-3-(pyridine-2-amido)benzene-1-sulfonyl chloride
CAS Number:
1094455-96-5
Molecular Formula:
C13H11ClN2O4S
Molecular Weight:
326.7554
MDL Number:
MFCD13463519
IUPAC Name:
4-methoxy-3-(pyridine-2-carbonylamino)benzenesulfonyl chloride
InChI:
InChI=1S/C13H11ClN2O4S/c1-20-12-6-5-9(21(14,18)19)8-11(12)16-13(17)10-4-2-3-7-15-10/h2-8H,1H3,(H,16,17)
InChI Key:
SLRUNCYZZXSEHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)c1ccccn1)S(=O)(=O)Cl
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.751g/mol
Monoisotopic Mass:
326.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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