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87785-34-0 | Tetradecanoyl chloride, 2-[4-[[(dimethylamino)sulfonyl]amino]phenoxy]-
CAS No: 87785-34-0 Catalog No: AG004FA5 MDL No:
Product Description
Catalog Number:
AG004FA5
Chemical Name:
Tetradecanoyl chloride, 2-[4-[[(dimethylamino)sulfonyl]amino]phenoxy]-
CAS Number:
87785-34-0
Molecular Formula:
C22H37ClN2O4S
Molecular Weight:
461.0582
IUPAC Name:
2-[4-(dimethylsulfamoylamino)phenoxy]tetradecanoyl chloride
InChI:
InChI=1S/C22H37ClN2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-21(22(23)26)29-20-17-15-19(16-18-20)24-30(27,28)25(2)3/h15-18,21,24H,4-14H2,1-3H3
InChI Key:
CMUOBWPOCRMZPT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)Cl)Oc1ccc(cc1)NS(=O)(=O)N(C)C
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.058g/mol
Monoisotopic Mass:
460.216g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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