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Home Nitriles (1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile

(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile

CAS No.:
3842-20-4
Catalog Number:
AG00CMGB
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$53
- +
5g
98%
In Stock USA
United States
$157
- +
10g
98%
In Stock USA
United States
$269
- +
25g
98%
In Stock USA
United States
$469
- +
100g
98%
In Stock USA
United States
$1169
- +
Product Description
Catalog Number:
AG00CMGB
Chemical Name:
(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile
CAS Number:
3842-20-4
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
MDL Number:
MFCD00087362
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)acetonitrile
InChI:
InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
InChI Key:
KJTIDLYAIIARFO-UHFFFAOYSA-N
SMILES:
N#CCN1C(=O)c2c(C1=O)cccc2
NSC Number:
403772
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
2-(1,3-Dioxoisoindolin-2-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20101001
Properties