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155669-75-3 | 1,4-Naphthalenedione, 2-bromo-3-(bromoamino)-
CAS No: 155669-75-3 Catalog No: AG001O36 MDL No:
Product Description
Catalog Number:
AG001O36
Chemical Name:
1,4-Naphthalenedione, 2-bromo-3-(bromoamino)-
CAS Number:
155669-75-3
Molecular Formula:
C10H5Br2NO2
Molecular Weight:
330.9602
IUPAC Name:
2-bromo-3-(bromoamino)naphthalene-1,4-dione
InChI:
InChI=1S/C10H5Br2NO2/c11-7-8(13-12)10(15)6-4-2-1-3-5(6)9(7)14/h1-4,13H
InChI Key:
GSIRMKHRILLLOA-UHFFFAOYSA-N
SMILES:
BrNC1=C(Br)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.867g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.963g/mol
Monoisotopic Mass:
328.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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