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15848-22-3 | 1-Pentanol, 5-bromo-, 1-acetate
CAS No: 15848-22-3 Catalog No: AG001Q8C MDL No:MFCD00039204
Product Description
Catalog Number:
AG001Q8C
Chemical Name:
1-Pentanol, 5-bromo-, 1-acetate
CAS Number:
15848-22-3
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD00039204
IUPAC Name:
5-bromopentyl acetate
InChI:
InChI=1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChI Key:
JIHJLQWUVZUKCH-UHFFFAOYSA-N
SMILES:
BrCCCCCOC(=O)C
EC Number:
239-961-8
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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