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122031-70-3 | Propanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CAS No: 122031-70-3 Catalog No: AG0016O2 MDL No:
Product Description
Catalog Number:
AG0016O2
Chemical Name:
Propanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CAS Number:
122031-70-3
Molecular Formula:
C19H29ClO2
Molecular Weight:
324.8854
IUPAC Name:
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]propanoyl chloride
InChI:
InChI=1S/C19H29ClO2/c1-8-18(4,5)14-10-11-16(22-13(3)17(20)21)15(12-14)19(6,7)9-2/h10-13H,8-9H2,1-7H3
InChI Key:
OJFUFLUUIVUVMZ-UHFFFAOYSA-N
SMILES:
CCC(c1cc(ccc1OC(C(=O)Cl)C)C(CC)(C)C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.186g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.889g/mol
Monoisotopic Mass:
324.186g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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