Home Halogens 1-amino-4-bromo-9,10-dioxo-9,10-dihydroan thracene-2-carboxylic acid

1-amino-4-bromo-9,10-dioxo-9,10-dihydroan thracene-2-carboxylic acid

CAS No.:
6363-90-2
Catalog Number:
AG00EHIA
Molecular Formula:
C15H8BrNO4
Molecular Weight:
346.1323
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Product Description
Catalog Number:
AG00EHIA
Chemical Name:
1-amino-4-bromo-9,10-dioxo-9,10-dihydroan thracene-2-carboxylic acid
CAS Number:
6363-90-2
Molecular Formula:
C15H8BrNO4
Molecular Weight:
346.1323
MDL Number:
MFCD00194216
IUPAC Name:
1-amino-4-bromo-9,10-dioxoanthracene-2-carboxylic acid
InChI:
InChI=1S/C15H8BrNO4/c16-9-5-8(15(20)21)12(17)11-10(9)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2,(H,20,21)
InChI Key:
LFKLTGPCMCEKPE-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N
NSC Number:
115340
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.964g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
346.136g/mol
Monoisotopic Mass:
344.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties