sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 1-Amino-4-bromo-2-methylanthracene-9,10-dione

1-Amino-4-bromo-2-methylanthracene-9,10-dione

CAS No.:
81-50-5
Catalog Number:
AG003DXM
Molecular Formula:
C15H10BrNO2
Molecular Weight:
316.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$66
- +
5g
99%
1 week
United States
$114
- +
Product Description
Catalog Number:
AG003DXM
Chemical Name:
1-Amino-4-bromo-2-methylanthracene-9,10-dione
CAS Number:
81-50-5
Molecular Formula:
C15H10BrNO2
Molecular Weight:
316.1494
MDL Number:
MFCD00001221
IUPAC Name:
1-amino-4-bromo-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
InChI Key:
VIQMJMDPUIBXQO-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
201-355-6
UNII:
K495LUA00R
NSC Number:
401160
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.989g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.154g/mol
Monoisotopic Mass:
314.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases). Purinergic signalling 20090301
Properties