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87979-54-2 | Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]-
CAS No: 87979-54-2 Catalog No: AG004ID3 MDL No:
Product Description
Catalog Number:
AG004ID3
Chemical Name:
Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]-
CAS Number:
87979-54-2
Molecular Formula:
C23H37ClO3
Molecular Weight:
396.9911
IUPAC Name:
2-(3-dodecoxyphenoxy)pentanoyl chloride
InChI:
InChI=1S/C23H37ClO3/c1-3-5-6-7-8-9-10-11-12-13-18-26-20-16-14-17-21(19-20)27-22(15-4-2)23(24)25/h14,16-17,19,22H,3-13,15,18H2,1-2H3
InChI Key:
ZNHDNQBRYNLINV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cccc(c1)OC(C(=O)Cl)CCC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.243g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.996g/mol
Monoisotopic Mass:
396.243g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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