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114177-01-4 | 12-Octadecenoyl chloride
CAS No: 114177-01-4 Catalog No: AG000AQG MDL No:
Product Description
Catalog Number:
AG000AQG
Chemical Name:
12-Octadecenoyl chloride
CAS Number:
114177-01-4
Molecular Formula:
C18H33ClO
Molecular Weight:
300.9070
IUPAC Name:
octadec-12-enoyl chloride
InChI:
InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3
InChI Key:
FEPFTNNZRPFAKF-UHFFFAOYSA-N
SMILES:
CCCCCC=CCCCCCCCCCCC(=O)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.222g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.911g/mol
Monoisotopic Mass:
300.222g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.3
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