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86603-79-4 | Benzene, 5-(chloromethyl)-1,2,3-triethoxy-
CAS No: 86603-79-4 Catalog No: AG004L29 MDL No:
Product Description
Catalog Number:
AG004L29
Chemical Name:
Benzene, 5-(chloromethyl)-1,2,3-triethoxy-
CAS Number:
86603-79-4
Molecular Formula:
C13H19ClO3
Molecular Weight:
258.7412
IUPAC Name:
5-(chloromethyl)-1,2,3-triethoxybenzene
InChI:
InChI=1S/C13H19ClO3/c1-4-15-11-7-10(9-14)8-12(16-5-2)13(11)17-6-3/h7-8H,4-6,9H2,1-3H3
InChI Key:
MLMZXUVFISSGDH-UHFFFAOYSA-N
SMILES:
CCOc1c(OCC)cc(cc1OCC)CCl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.742g/mol
Monoisotopic Mass:
258.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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