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10276-86-5 | Benzoic acid, 2-chloro-, heptyl ester
CAS No: 10276-86-5 Catalog No: AG0008B6 MDL No:
Product Description
Catalog Number:
AG0008B6
Chemical Name:
Benzoic acid, 2-chloro-, heptyl ester
CAS Number:
10276-86-5
Molecular Formula:
C14H19ClO2
Molecular Weight:
254.7525
IUPAC Name:
heptyl 2-chlorobenzoate
InChI:
InChI=1S/C14H19ClO2/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3
InChI Key:
AZDUVJGZVLGFLA-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)c1ccccc1Cl
NSC Number:
23748
Properties
Complexity:
218
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:
6.7
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