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150993-63-8 | 2-Pyrrolidinecarbonyl chloride, 1-[7-[(dimethylamino)sulfonyl]-2,1,3-benzoxadiazol-4-yl]-, (S)- (9CI)
CAS No: 150993-63-8 Catalog No: AG001MYU MDL No:MFCD00191380
Product Description
Catalog Number:
AG001MYU
Chemical Name:
2-Pyrrolidinecarbonyl chloride, 1-[7-[(dimethylamino)sulfonyl]-2,1,3-benzoxadiazol-4-yl]-, (S)- (9CI)
CAS Number:
150993-63-8
Molecular Formula:
C13H15ClN4O4S
Molecular Weight:
358.8006
MDL Number:
MFCD00191380
IUPAC Name:
(2S)-1-[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]pyrrolidine-2-carbonyl chloride
InChI:
InChI=1S/C13H15ClN4O4S/c1-17(2)23(20,21)10-6-5-8(11-12(10)16-22-15-11)18-7-3-4-9(18)13(14)19/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChI Key:
ZPBKQTOHYMFDLD-VIFPVBQESA-N
SMILES:
ClC(=O)[C@@H]1CCCN1c1ccc(c2c1non2)S(=O)(=O)N(C)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
358.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.797g/mol
Monoisotopic Mass:
358.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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