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5445-29-4 | Ethyl 2-bromooctanoate
CAS No: 5445-29-4 Catalog No: AG0034UB MDL No:MFCD00042603
Product Description
Catalog Number:
AG0034UB
Chemical Name:
Ethyl 2-bromooctanoate
CAS Number:
5445-29-4
Molecular Formula:
C10H19BrO2
Molecular Weight:
251.1607
MDL Number:
MFCD00042603
IUPAC Name:
ethyl 2-bromooctanoate
InChI:
InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChI Key:
JIQJOKSCSVMZAN-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCC)Br
EC Number:
226-647-0
NSC Number:
21989
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.164g/mol
Monoisotopic Mass:
250.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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