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1443342-51-5 | Ethyl 3-chloro-6-iso-pentoxybenzoylformate
CAS No: 1443342-51-5 Catalog No: AG01FBC7 MDL No:
Product Description
Catalog Number:
AG01FBC7
Chemical Name:
Ethyl 3-chloro-6-iso-pentoxybenzoylformate
CAS Number:
1443342-51-5
Molecular Formula:
C15H19ClO4
Molecular Weight:
298.7620
IUPAC Name:
ethyl 2-[5-chloro-2-(3-methylbutoxy)phenyl]-2-oxoacetate
InChI:
InChI=1S/C15H19ClO4/c1-4-19-15(18)14(17)12-9-11(16)5-6-13(12)20-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChI Key:
ZUMFMBKUJRSDTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(Cl)ccc1OCCC(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.763g/mol
Monoisotopic Mass:
298.097g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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