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1564-71-2 | 9,10-Anthracenedione, 1-amino-2-bromo-4-(phenylamino)-
CAS No: 1564-71-2 Catalog No: AG001OPX MDL No:
Product Description
Catalog Number:
AG001OPX
Chemical Name:
9,10-Anthracenedione, 1-amino-2-bromo-4-(phenylamino)-
CAS Number:
1564-71-2
Molecular Formula:
C20H13BrN2O2
Molecular Weight:
393.2334
IUPAC Name:
1-amino-4-anilino-2-bromoanthracene-9,10-dione
InChI:
InChI=1S/C20H13BrN2O2/c21-14-10-15(23-11-6-2-1-3-7-11)16-17(18(14)22)20(25)13-9-5-4-8-12(13)19(16)24/h1-10,23H,22H2
InChI Key:
BMIJUARACLJZMP-UHFFFAOYSA-N
SMILES:
Brc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1c(C2=O)cccc1
EC Number:
216-361-4
NSC Number:
128427
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.016g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.24g/mol
Monoisotopic Mass:
392.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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