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75096-03-6 | Pentanoic acid, 3,4-dibromo-, ethyl ester
CAS No: 75096-03-6 Catalog No: AG005ECQ MDL No:
Product Description
Catalog Number:
AG005ECQ
Chemical Name:
Pentanoic acid, 3,4-dibromo-, ethyl ester
CAS Number:
75096-03-6
Molecular Formula:
C7H12Br2O2
Molecular Weight:
287.9770
IUPAC Name:
ethyl 3,4-dibromopentanoate
InChI:
InChI=1S/C7H12Br2O2/c1-3-11-7(10)4-6(9)5(2)8/h5-6H,3-4H2,1-2H3
InChI Key:
IMVKVCPFYBJDMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(Br)C)Br
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.918g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.979g/mol
Monoisotopic Mass:
285.92g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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