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17847-51-7 | Phenol, 3,4-dichloro-, 1-acetate
CAS No: 17847-51-7 Catalog No: AG002635 MDL No:MFCD01632288
Product Description
Catalog Number:
AG002635
Chemical Name:
Phenol, 3,4-dichloro-, 1-acetate
CAS Number:
17847-51-7
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD01632288
IUPAC Name:
(3,4-dichlorophenyl) acetate
InChI:
InChI=1S/C8H6Cl2O2/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChI Key:
OSKGYRIYNMZFSJ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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