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136351-82-1 | Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-
CAS No: 136351-82-1 Catalog No: AG0011S6 MDL No:
Product Description
Catalog Number:
AG0011S6
Chemical Name:
Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-
CAS Number:
136351-82-1
Molecular Formula:
C20H31ClO2
Molecular Weight:
338.9119
IUPAC Name:
2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoyl chloride
InChI:
InChI=1S/C20H31ClO2/c1-8-16(18(21)22)23-17-10-9-14(12-19(2,3)4)11-15(17)13-20(5,6)7/h9-11,16H,8,12-13H2,1-7H3
InChI Key:
WSAXAWKDUUKXCA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Cl)Oc1ccc(cc1CC(C)(C)C)CC(C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.201g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.916g/mol
Monoisotopic Mass:
338.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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