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100012-49-5 | 1,4-Naphthalenedione, 2,3,6,7-tetrabromo-5,8-dihydroxy-
CAS No: 100012-49-5 Catalog No: AG0000AG MDL No:
Product Description
Catalog Number:
AG0000AG
Chemical Name:
1,4-Naphthalenedione, 2,3,6,7-tetrabromo-5,8-dihydroxy-
CAS Number:
100012-49-5
Molecular Formula:
C10H2Br4O4
Molecular Weight:
505.7365
IUPAC Name:
2,3,6,7-tetrabromo-5,8-dihydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C10H2Br4O4/c11-3-5(13)9(17)2-1(7(3)15)8(16)4(12)6(14)10(2)18/h15,17H
InChI Key:
GMOAIZMCKUEIOE-UHFFFAOYSA-N
SMILES:
BrC1=C(Br)C(=O)c2c(C1=O)c(O)c(c(c2O)Br)Br
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.665g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
505.738g/mol
Monoisotopic Mass:
501.669g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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