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119614-35-6 | 2-Heptyne, 1-(2-bromo-1-ethoxyethoxy)-
CAS No: 119614-35-6 Catalog No: AG000PA4 MDL No:
Product Description
Catalog Number:
AG000PA4
Chemical Name:
2-Heptyne, 1-(2-bromo-1-ethoxyethoxy)-
CAS Number:
119614-35-6
Molecular Formula:
C11H19BrO2
Molecular Weight:
263.1714
IUPAC Name:
1-(2-bromo-1-ethoxyethoxy)hept-2-yne
InChI:
InChI=1S/C11H19BrO2/c1-3-5-6-7-8-9-14-11(10-12)13-4-2/h11H,3-6,9-10H2,1-2H3
InChI Key:
HSPXRQQKADSACH-UHFFFAOYSA-N
SMILES:
CCCCC#CCOC(OCC)CBr
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.175g/mol
Monoisotopic Mass:
262.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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