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72918-26-4 | 9,10-Anthracenedione,2,3-dichloro-1,4-bis(methylamino)-
CAS No: 72918-26-4 Catalog No: AG005DZL MDL No:
Product Description
Catalog Number:
AG005DZL
Chemical Name:
9,10-Anthracenedione,2,3-dichloro-1,4-bis(methylamino)-
CAS Number:
72918-26-4
Molecular Formula:
C16H12Cl2N2O2
Molecular Weight:
335.1847
IUPAC Name:
2,3-dichloro-1,4-bis(methylamino)anthracene-9,10-dione
InChI:
InChI=1S/C16H12Cl2N2O2/c1-19-13-9-10(14(20-2)12(18)11(13)17)16(22)8-6-4-3-5-7(8)15(9)21/h3-6,19-20H,1-2H3
InChI Key:
HBXFQISVGNEFQU-UHFFFAOYSA-N
SMILES:
CNc1c2C(=O)c3ccccc3C(=O)c2c(c(c1Cl)Cl)NC
EC Number:
277-016-1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.184g/mol
Monoisotopic Mass:
334.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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