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1906-95-2 | Propanedioic acid, 2-(5-bromopentyl)-, 1,3-diethyl ester
CAS No: 1906-95-2 Catalog No: AG002EOP MDL No:MFCD00048565
Product Description
Catalog Number:
AG002EOP
Chemical Name:
Propanedioic acid, 2-(5-bromopentyl)-, 1,3-diethyl ester
CAS Number:
1906-95-2
Molecular Formula:
C12H21BrO4
Molecular Weight:
309.1967
MDL Number:
MFCD00048565
IUPAC Name:
diethyl 2-(5-bromopentyl)propanedioate
InChI:
InChI=1S/C12H21BrO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h10H,3-9H2,1-2H3
InChI Key:
JZCAZGWJCVMTTQ-UHFFFAOYSA-N
SMILES:
BrCCCCCC(C(=O)OCC)C(=O)OCC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.2g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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