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10262-82-5 | 9,10-Anthracenedione, 2-amino-1-nitro-
CAS No: 10262-82-5 Catalog No: AG0007YX MDL No:
Product Description
Catalog Number:
AG0007YX
Chemical Name:
9,10-Anthracenedione, 2-amino-1-nitro-
CAS Number:
10262-82-5
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
2-amino-1-nitroanthracene-9,10-dione
InChI:
InChI=1S/C14H8N2O4/c15-10-6-5-9-11(12(10)16(19)20)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15H2
InChI Key:
MTXKQBHZBNCFSC-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])N
EC Number:
233-600-8
NSC Number:
115439
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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