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24050-49-5 | 3-Bromo-1,8-naphthalic anhydride
CAS No: 24050-49-5 Catalog No: AG0037IR MDL No:MFCD00228162
Product Description
Catalog Number:
AG0037IR
Chemical Name:
3-Bromo-1,8-naphthalic anhydride
CAS Number:
24050-49-5
Molecular Formula:
C12H5BrO3
Molecular Weight:
277.0703
MDL Number:
MFCD00228162
IUPAC Name:
7-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
InChI:
InChI=1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H
InChI Key:
LYXFXCSFCWZGNZ-UHFFFAOYSA-N
SMILES:
Brc1cc2cccc3c2c(c1)C(=O)OC3=O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.942g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.073g/mol
Monoisotopic Mass:
275.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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