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128-81-4

128-81-4 | 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-

CAS No: 128-81-4 Catalog No: AG000XOF MDL No:

Product Description

Catalog Number:
AG000XOF
Chemical Name:
1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-
CAS Number:
128-81-4
Molecular Formula:
C16H9N3O4
Molecular Weight:
307.2604
IUPAC Name:
4,11-diaminonaphtho[2,3-f]isoindole-1,3,5,10-tetrone
InChI:
InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)
InChI Key:
UOBRDAVIVQKFCM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c1c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2
EC Number:
204-910-0
UNII:
YG2LVB01V3
NSC Number:
115447

Properties

Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.059g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
307.265g/mol
Monoisotopic Mass:
307.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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