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88051-30-3 | 4-Bromonaphtho[1,8-de:4,5-d'e']bis([1,3]dioxine)
CAS No: 88051-30-3 Catalog No: AG004M15 MDL No:MFCD10565689
Product Description
Catalog Number:
AG004M15
Chemical Name:
4-Bromonaphtho[1,8-de:4,5-d'e']bis([1,3]dioxine)
CAS Number:
88051-30-3
Molecular Formula:
C12H7BrO4
Molecular Weight:
295.0856
MDL Number:
MFCD10565689
IUPAC Name:
2-bromo-5,7,12,14-tetraoxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene
InChI:
InChI=1S/C12H7BrO4/c13-6-3-9-10-7(14-4-16-9)1-2-8-11(10)12(6)17-5-15-8/h1-3H,4-5H2
InChI Key:
DSFYFWDZJHOTNK-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc3c2c2c1OCOc2cc3
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.953g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.088g/mol
Monoisotopic Mass:
293.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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