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2478-66-2 | 9,10-Anthracenedione, 1-amino-3-bromo-2-chloro-4-hydroxy-
CAS No: 2478-66-2 Catalog No: AG002PEV MDL No:
Product Description
Catalog Number:
AG002PEV
Chemical Name:
9,10-Anthracenedione, 1-amino-3-bromo-2-chloro-4-hydroxy-
CAS Number:
2478-66-2
Molecular Formula:
C14H7BrClNO3
Molecular Weight:
352.5673
IUPAC Name:
1-amino-3-bromo-2-chloro-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H7BrClNO3/c15-9-10(16)11(17)7-8(14(9)20)13(19)6-4-2-1-3-5(6)12(7)18/h1-4,20H,17H2
InChI Key:
PCAFKNSZJMUWAG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(c(c2O)Br)Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.93g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.568g/mol
Monoisotopic Mass:
350.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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