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Home Nitriles 2-Amino-5-nitrobenzonitrile

2-Amino-5-nitrobenzonitrile

CAS No.:
17420-30-3
Catalog Number:
AG001ZIR
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001ZIR
Chemical Name:
2-Amino-5-nitrobenzonitrile
CAS Number:
17420-30-3
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD22631666
IUPAC Name:
2-amino-5-nitrobenzonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChI Key:
MGCGMYPNXAFGFA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N)[N+](=O)[O-]
EC Number:
241-446-8
UNII:
SEZ79WRA1J
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Hydrogen bonding in C-substituted nitroanilines: pi-stacked sheets of R4 4(20) and R4 4(28) rings in 2-cyano-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20040101
Properties