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1009505-66-1 | Alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-
CAS No: 1009505-66-1 Catalog No: AG0003AK MDL No:MFCD03618997
Product Description
Catalog Number:
AG0003AK
Chemical Name:
Alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-
CAS Number:
1009505-66-1
Molecular Formula:
C9H9ClFNO4S
Molecular Weight:
281.6885
MDL Number:
MFCD03618997
IUPAC Name:
(2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)6-2-3-8(11)7(10)4-6/h2-5,12H,1H3,(H,13,14)/t5-/m0/s1
InChI Key:
XTWFAFUSMARDPX-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccc(c(c1)Cl)F)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.682g/mol
Monoisotopic Mass:
280.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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