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82560-08-5 | Benzoyl chloride, 2,6-dipropoxy-
CAS No: 82560-08-5 Catalog No: AG005EY6 MDL No:
Product Description
Catalog Number:
AG005EY6
Chemical Name:
Benzoyl chloride, 2,6-dipropoxy-
CAS Number:
82560-08-5
Molecular Formula:
C13H17ClO3
Molecular Weight:
256.7253
IUPAC Name:
2,6-dipropoxybenzoyl chloride
InChI:
InChI=1S/C13H17ClO3/c1-3-8-16-10-6-5-7-11(17-9-4-2)12(10)13(14)15/h5-7H,3-4,8-9H2,1-2H3
InChI Key:
CQDVBKIMPCUCDY-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1C(=O)Cl)OCCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.726g/mol
Monoisotopic Mass:
256.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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