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28598-81-4 | Nonanoic acid, 9-bromo-, ethyl ester
CAS No: 28598-81-4 Catalog No: AG002VSA MDL No:MFCD06797065
Product Description
Catalog Number:
AG002VSA
Chemical Name:
Nonanoic acid, 9-bromo-, ethyl ester
CAS Number:
28598-81-4
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
MDL Number:
MFCD06797065
IUPAC Name:
ethyl 9-bromononanoate
InChI:
InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3
InChI Key:
KXZBPLOPBKIUTC-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCC(=O)OCC
EC Number:
926-337-1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.191g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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