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92260-82-7 | 4,5-Dihydro-6-oxiMe-iMidazo[4,5,1-jk][1]benzazepine-2,6,7(1H)-trione
CAS No: 92260-82-7 Catalog No: AG00GXZW MDL No:MFCD26793907
Product Description
Catalog Number:
AG00GXZW
Chemical Name:
4,5-Dihydro-6-oxiMe-iMidazo[4,5,1-jk][1]benzazepine-2,6,7(1H)-trione
CAS Number:
92260-82-7
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD26793907
IUPAC Name:
(10Z)-10-hydroxyimino-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione
InChI:
InChI=1S/C11H9N3O3/c15-10-6-2-1-3-7-9(6)14(11(16)12-7)5-4-8(10)13-17/h1-3,17H,4-5H2,(H,12,16)/b13-8-
InChI Key:
YRFMUFXBAIBWKI-JYRVWZFOSA-N
SMILES:
O/N=C\1/CCn2c3c(C1=O)cccc3[nH]c2=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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