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117-07-7 | 9,10-Anthracenedione, 1-amino-2-chloro-
CAS No: 117-07-7 Catalog No: AG000DHZ MDL No:
Product Description
Catalog Number:
AG000DHZ
Chemical Name:
9,10-Anthracenedione, 1-amino-2-chloro-
CAS Number:
117-07-7
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
IUPAC Name:
1-amino-2-chloroanthracene-9,10-dione
InChI:
InChI=1S/C14H8ClNO2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
InChI Key:
QQOBTPNGSQEDAS-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2N)Cl
EC Number:
204-170-9
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.673g/mol
Monoisotopic Mass:
257.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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