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13031-39-5 | Acetic acid, 3-chlorophenyl ester
CAS No: 13031-39-5 Catalog No: AG000UAJ MDL No:MFCD00142577
Product Description
Catalog Number:
AG000UAJ
Chemical Name:
Acetic acid, 3-chlorophenyl ester
CAS Number:
13031-39-5
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00142577
IUPAC Name:
(3-chlorophenyl) acetate
InChI:
InChI=1S/C8H7ClO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
InChI Key:
GQTKYLQYHPTULY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)Cl
EC Number:
603-403-5
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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