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1497-21-8 | Acetic acid, 2-[4-(2-bromo-2-ethyl-1-oxobutyl)-2,3-dichlorophenoxy]-
CAS No: 1497-21-8 Catalog No: AG001LY0 MDL No:
Product Description
Catalog Number:
AG001LY0
Chemical Name:
Acetic acid, 2-[4-(2-bromo-2-ethyl-1-oxobutyl)-2,3-dichlorophenoxy]-
CAS Number:
1497-21-8
Molecular Formula:
C14H15BrCl2O4
Molecular Weight:
398.0765
IUPAC Name:
2-[4-(2-bromo-2-ethylbutanoyl)-2,3-dichlorophenoxy]acetic acid
InChI:
InChI=1S/C14H15BrCl2O4/c1-3-14(15,4-2)13(20)8-5-6-9(12(17)11(8)16)21-7-10(18)19/h5-6H,3-4,7H2,1-2H3,(H,18,19)
InChI Key:
SDUPLYVEBCAACL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O)(CC)Br
NSC Number:
104113
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.953g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.074g/mol
Monoisotopic Mass:
395.953g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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