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127978-04-5 | Butanoyl chloride, 4-(dodecylsulfonyl)-
CAS No: 127978-04-5 Catalog No: AG000XMM MDL No:
Product Description
Catalog Number:
AG000XMM
Chemical Name:
Butanoyl chloride, 4-(dodecylsulfonyl)-
CAS Number:
127978-04-5
Molecular Formula:
C16H31ClO3S
Molecular Weight:
338.9335
IUPAC Name:
4-dodecylsulfonylbutanoyl chloride
InChI:
InChI=1S/C16H31ClO3S/c1-2-3-4-5-6-7-8-9-10-11-14-21(19,20)15-12-13-16(17)18/h2-15H2,1H3
InChI Key:
MDPIPHKXYZRIGN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCS(=O)(=O)CCCC(=O)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.931g/mol
Monoisotopic Mass:
338.168g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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