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24552-27-0 | Propanoic acid, 3-chloro-, phenyl ester
CAS No: 24552-27-0 Catalog No: AG002OJ2 MDL No:MFCD00045298
Product Description
Catalog Number:
AG002OJ2
Chemical Name:
Propanoic acid, 3-chloro-, phenyl ester
CAS Number:
24552-27-0
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00045298
IUPAC Name:
phenyl 3-chloropropanoate
InChI:
InChI=1S/C9H9ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
RAFRTSDUWORDLA-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Oc1ccccc1
NSC Number:
64457
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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