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10165-31-8 | 9,10-Anthracenedione, 1,4-diamino-2-bromo-
CAS No: 10165-31-8 Catalog No: AG00051N MDL No:
Product Description
Catalog Number:
AG00051N
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-2-bromo-
CAS Number:
10165-31-8
Molecular Formula:
C14H9BrN2O2
Molecular Weight:
317.1375
IUPAC Name:
1,4-diamino-2-bromoanthracene-9,10-dione
InChI:
InChI=1S/C14H9BrN2O2/c15-8-5-9(16)10-11(12(8)17)14(19)7-4-2-1-3-6(7)13(10)18/h1-5H,16-17H2
InChI Key:
IEWDGUMBUFXBCC-UHFFFAOYSA-N
SMILES:
Nc1c(Br)cc(c2c1C(=O)c1ccccc1C2=O)N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.142g/mol
Monoisotopic Mass:
315.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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