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6976-58-5 | Octanoic acid,4-chlorophenyl ester
CAS No: 6976-58-5 Catalog No: AG005I0L MDL No:
Product Description
Catalog Number:
AG005I0L
Chemical Name:
Octanoic acid,4-chlorophenyl ester
CAS Number:
6976-58-5
Molecular Formula:
C14H19ClO2
Molecular Weight:
254.7525
IUPAC Name:
(4-chlorophenyl) octanoate
InChI:
InChI=1S/C14H19ClO2/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h8-11H,2-7H2,1H3
InChI Key:
FSEXRXSPQYSFBC-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1ccc(cc1)Cl
NSC Number:
24732
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.754g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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