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88335-03-9 | Benzene, 1,2-bis[(5-chloro-4-pentynyl)oxy]-
CAS No: 88335-03-9 Catalog No: AG00471D MDL No:
Product Description
Catalog Number:
AG00471D
Chemical Name:
Benzene, 1,2-bis[(5-chloro-4-pentynyl)oxy]-
CAS Number:
88335-03-9
Molecular Formula:
C16H16Cl2O2
Molecular Weight:
311.2030
IUPAC Name:
1,2-bis(5-chloropent-4-ynoxy)benzene
InChI:
InChI=1S/C16H16Cl2O2/c17-11-5-1-7-13-19-15-9-3-4-10-16(15)20-14-8-2-6-12-18/h3-4,9-10H,1-2,7-8,13-14H2
InChI Key:
HLIGTQVEKJLTLD-UHFFFAOYSA-N
SMILES:
ClC#CCCCOc1ccccc1OCCCC#CCl
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.202g/mol
Monoisotopic Mass:
310.053g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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