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94-11-1 | 2,4-D-iso-propyl ester
CAS No: 94-11-1 Catalog No: AG01FNYY MDL No:
Product Description
Catalog Number:
AG01FNYY
Chemical Name:
2,4-D-iso-propyl ester
CAS Number:
94-11-1
IUPAC Name:
propan-2-yl 2-(2,4-dichlorophenoxy)acetate
InChI:
InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChI Key:
WHOKDONDRZNCBC-UHFFFAOYSA-N
EC Number:
202-305-6
UNII:
S198602E40
NSC Number:
521749
UN Number:
2765
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.114g/mol
Monoisotopic Mass:
262.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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