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82-27-9 | 9,10-Anthracenedione,2-amino-1-chloro-
CAS No: 82-27-9 Catalog No: AG005000 MDL No:MFCD00126951
Product Description
Catalog Number:
AG005000
Chemical Name:
9,10-Anthracenedione,2-amino-1-chloro-
CAS Number:
82-27-9
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
MDL Number:
MFCD00126951
IUPAC Name:
2-amino-1-chloroanthracene-9,10-dione
InChI:
InChI=1S/C14H8ClNO2/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
InChI Key:
PLGPRGMWHYWEFT-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2Cl)N
EC Number:
201-407-8
NSC Number:
39928
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:
2.8
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