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1132787-68-8 | ((3-chlorophenyl)sulfonyl)leucine
CAS No: 1132787-68-8 Catalog No: AG01FN3D MDL No:MFCD07433677
Product Description
Catalog Number:
AG01FN3D
Chemical Name:
((3-chlorophenyl)sulfonyl)leucine
CAS Number:
1132787-68-8
Molecular Formula:
C12H16ClNO4S
Molecular Weight:
305.7777
MDL Number:
MFCD07433677
IUPAC Name:
2-[(3-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
InChI:
InChI=1S/C12H16ClNO4S/c1-8(2)6-11(12(15)16)14-19(17,18)10-5-3-4-9(13)7-10/h3-5,7-8,11,14H,6H2,1-2H3,(H,15,16)
InChI Key:
KJQWUNLTCVDQQZ-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)NS(=O)(=O)c1cccc(c1)Cl)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.773g/mol
Monoisotopic Mass:
305.049g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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