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820238-20-8 | Naphthalene, 5-bromo-1,2,3,4-tetrahydro-8-propoxy-
CAS No: 820238-20-8 Catalog No: AG005D91 MDL No:
Product Description
Catalog Number:
AG005D91
Chemical Name:
Naphthalene, 5-bromo-1,2,3,4-tetrahydro-8-propoxy-
CAS Number:
820238-20-8
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
5-bromo-8-propoxy-1,2,3,4-tetrahydronaphthalene
InChI:
InChI=1S/C13H17BrO/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h7-8H,2-6,9H2,1H3
InChI Key:
USAOGBGIPFXJAY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c2c1CCCC2)Br
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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