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1262964-13-5 | ((3-chlorophenyl)sulfonyl)methionine
CAS No: 1262964-13-5 Catalog No: AG01FN3I MDL No:MFCD07433678
Product Description
Catalog Number:
AG01FN3I
Chemical Name:
((3-chlorophenyl)sulfonyl)methionine
CAS Number:
1262964-13-5
Molecular Formula:
C11H14ClNO4S2
Molecular Weight:
323.8162
MDL Number:
MFCD07433678
IUPAC Name:
2-[(3-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C11H14ClNO4S2/c1-18-6-5-10(11(14)15)13-19(16,17)9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3,(H,14,15)
InChI Key:
RUTVKXJQNPCTNU-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1cccc(c1)Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.806g/mol
Monoisotopic Mass:
323.005g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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