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66217-20-7 | 2-Bromo-6-butoxynaphthalene
CAS No: 66217-20-7 Catalog No: AG003GR3 MDL No:MFCD01568860
Product Description
Catalog Number:
AG003GR3
Chemical Name:
2-Bromo-6-butoxynaphthalene
CAS Number:
66217-20-7
Molecular Formula:
C14H15BrO
Molecular Weight:
279.1723
MDL Number:
MFCD01568860
IUPAC Name:
2-bromo-6-butoxynaphthalene
InChI:
InChI=1S/C14H15BrO/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3
InChI Key:
LIQQRPRDWMYCPK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)ccc(c2)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.177g/mol
Monoisotopic Mass:
278.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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