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20208-55-3 | Benzoyl chloride, 2,4,6-tris(1,1-dimethylethyl)-
CAS No: 20208-55-3 Catalog No: AG002825 MDL No:
Product Description
Catalog Number:
AG002825
Chemical Name:
Benzoyl chloride, 2,4,6-tris(1,1-dimethylethyl)-
CAS Number:
20208-55-3
Molecular Formula:
C19H29ClO
Molecular Weight:
308.8860
IUPAC Name:
2,4,6-tritert-butylbenzoyl chloride
InChI:
InChI=1S/C19H29ClO/c1-17(2,3)12-10-13(18(4,5)6)15(16(20)21)14(11-12)19(7,8)9/h10-11H,1-9H3
InChI Key:
LILHQIIHOWEMEY-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.191g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.89g/mol
Monoisotopic Mass:
308.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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