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13246-97-4 | Acetic acid, 2-(2,4-dichlorophenoxy)-, phenylmethyl ester
CAS No: 13246-97-4 Catalog No: AG0010PK MDL No:
Product Description
Catalog Number:
AG0010PK
Chemical Name:
Acetic acid, 2-(2,4-dichlorophenoxy)-, phenylmethyl ester
CAS Number:
13246-97-4
Molecular Formula:
C15H12Cl2O3
Molecular Weight:
311.1600
IUPAC Name:
benzyl 2-(2,4-dichlorophenoxy)acetate
InChI:
InChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)8-12)19-10-15(18)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChI Key:
CTPBQERXEKWBKV-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)COc1ccc(cc1Cl)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.158g/mol
Monoisotopic Mass:
310.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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