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117157-38-7 | 1,4-Naphthalenedione, 6,7-dibromo-
CAS No: 117157-38-7 Catalog No: AG000DTI MDL No:
Product Description
Catalog Number:
AG000DTI
Chemical Name:
1,4-Naphthalenedione, 6,7-dibromo-
CAS Number:
117157-38-7
Molecular Formula:
C10H4Br2O2
Molecular Weight:
315.9456
IUPAC Name:
6,7-dibromonaphthalene-1,4-dione
InChI:
InChI=1S/C10H4Br2O2/c11-7-3-5-6(4-8(7)12)10(14)2-1-9(5)13/h1-4H
InChI Key:
ISAWHKQOSFKKSL-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1cc(Br)c(c2)Br
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.856g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.948g/mol
Monoisotopic Mass:
313.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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