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125161-79-7 | 1-Pentanol, 5-bromo-3-methyl-, 1-acetate
CAS No: 125161-79-7 Catalog No: AG000NA3 MDL No:
Product Description
Catalog Number:
AG000NA3
Chemical Name:
1-Pentanol, 5-bromo-3-methyl-, 1-acetate
CAS Number:
125161-79-7
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
IUPAC Name:
(5-bromo-3-methylpentyl) acetate
InChI:
InChI=1S/C8H15BrO2/c1-7(3-5-9)4-6-11-8(2)10/h7H,3-6H2,1-2H3
InChI Key:
BDTWCRYXFRYVAL-UHFFFAOYSA-N
SMILES:
CC(CCBr)CCOC(=O)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/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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