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1448636-37-0 | ((4-(2-Chlorophenoxy)phenyl)sulfonyl)valine
CAS No: 1448636-37-0 Catalog No: AG01FN3L MDL No:MFCD05866545
Product Description
Catalog Number:
AG01FN3L
Chemical Name:
((4-(2-Chlorophenoxy)phenyl)sulfonyl)valine
CAS Number:
1448636-37-0
Molecular Formula:
C17H18ClNO5S
Molecular Weight:
383.8465
MDL Number:
MFCD05866545
IUPAC Name:
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C17H18ClNO5S/c1-11(2)16(17(20)21)19-25(22,23)13-9-7-12(8-10-13)24-15-6-4-3-5-14(15)18/h3-11,16,19H,1-2H3,(H,20,21)
InChI Key:
CLUCIOWWTLBRMT-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1Cl)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.843g/mol
Monoisotopic Mass:
383.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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