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Home Nitriles 3-Nitrobenzonitrile

3-Nitrobenzonitrile

CAS No.:
619-24-9
Catalog Number:
AG00IKFU
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$40
- +
25g
98%(GC)
In Stock USA
United States
$61
- +
100g
98%(GC)
In Stock USA
United States
$144
- +
250g
98%(GC)
In Stock USA
United States
$290
- +
Product Description
Catalog Number:
AG00IKFU
Chemical Name:
3-Nitrobenzonitrile
CAS Number:
619-24-9
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD00007194
IUPAC Name:
3-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
InChI Key:
RUSAWEHOGCWOPG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)[N+](=O)[O-]
EC Number:
210-587-7
NSC Number:
5382
RTECS Number:
DI4900000
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Electrospray ionization mass spectrometry: a technique to access the information beyond the molecular weight of the analyte. International journal of analytical chemistry 20120101
New reagents for increasing ESI multiple charging of proteins and protein complexes. Journal of the American Society for Mass Spectrometry 20100101
DNA display III. Solid-phase organic synthesis on unprotected DNA. PLoS biology 20040701
Properties