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80305-88-0 | Benzoic acid, 4-(5-bromopentyl)-, ethyl ester
CAS No: 80305-88-0 Catalog No: AG0053NP MDL No:
Product Description
Catalog Number:
AG0053NP
Chemical Name:
Benzoic acid, 4-(5-bromopentyl)-, ethyl ester
CAS Number:
80305-88-0
Molecular Formula:
C14H19BrO2
Molecular Weight:
299.2035
IUPAC Name:
ethyl 4-(5-bromopentyl)benzoate
InChI:
InChI=1S/C14H19BrO2/c1-2-17-14(16)13-9-7-12(8-10-13)6-4-3-5-11-15/h7-10H,2-6,11H2,1H3
InChI Key:
PKLNRZMONCSSHW-UHFFFAOYSA-N
SMILES:
BrCCCCCc1ccc(cc1)C(=O)OCC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.208g/mol
Monoisotopic Mass:
298.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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