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205180-51-4 | 2-Pentanol, 1,5-dibromo-, 2-acetate
CAS No: 205180-51-4 Catalog No: AG0029WO MDL No:MFCD00043449
Product Description
Catalog Number:
AG0029WO
Chemical Name:
2-Pentanol, 1,5-dibromo-, 2-acetate
CAS Number:
205180-51-4
Molecular Formula:
C7H12Br2O2
Molecular Weight:
287.9770
MDL Number:
MFCD00043449
IUPAC Name:
1,5-dibromopentan-2-yl acetate
InChI:
InChI=1S/C7H12Br2O2/c1-6(10)11-7(5-9)3-2-4-8/h7H,2-5H2,1H3
InChI Key:
JGMIHIAAGUSENI-UHFFFAOYSA-N
SMILES:
BrCCCC(OC(=O)C)CBr
Properties
Complexity:
117
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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