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Home Halogens 1,4-Diamino-2,3-dichloroanthraquinone

1,4-Diamino-2,3-dichloroanthraquinone

CAS No.:
81-42-5
Catalog Number:
AG008ME8
Molecular Formula:
C14H8Cl2N2O2
Molecular Weight:
307.1315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%(HPLC)
In Stock USA
United States
$46
- +
5g
95%(HPLC)
In Stock USA
United States
$86
- +
25g
95%(HPLC)
In Stock USA
United States
$223
- +
Product Description
Catalog Number:
AG008ME8
Chemical Name:
1,4-Diamino-2,3-dichloroanthraquinone
CAS Number:
81-42-5
Molecular Formula:
C14H8Cl2N2O2
Molecular Weight:
307.1315
MDL Number:
MFCD00035693
IUPAC Name:
1,4-diamino-2,3-dichloroanthracene-9,10-dione
InChI:
InChI=1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2
InChI Key:
KZYAYVSWIPZDKL-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(c(c2N)Cl)Cl
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.996g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.13g/mol
Monoisotopic Mass:
305.996g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone. A joint FTIR, FT-Raman and scaled quantum mechanical study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050601
Properties