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114325-51-8 | 1,4-Epoxynaphthalene, 1-[(2-bromophenyl)methyl]-1,4-dihydro-
CAS No: 114325-51-8 Catalog No: AG000B3T MDL No:
Product Description
Catalog Number:
AG000B3T
Chemical Name:
1,4-Epoxynaphthalene, 1-[(2-bromophenyl)methyl]-1,4-dihydro-
CAS Number:
114325-51-8
Molecular Formula:
C17H13BrO
Molecular Weight:
313.1885
IUPAC Name:
1-[(2-bromophenyl)methyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
InChI:
InChI=1S/C17H13BrO/c18-15-8-4-1-5-12(15)11-17-10-9-16(19-17)13-6-2-3-7-14(13)17/h1-10,16H,11H2
InChI Key:
WSGAEUJQAFRVDE-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC12C=CC(O1)c1c2cccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.194g/mol
Monoisotopic Mass:
312.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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