Home Nitriles 2-Nitrophenylacetonitrile

2-Nitrophenylacetonitrile

CAS No.:
610-66-2
Catalog Number:
AG003HSY
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$35
- +
100g
98%
In Stock USA
United States
$100
- +
Product Description
Catalog Number:
AG003HSY
Chemical Name:
2-Nitrophenylacetonitrile
CAS Number:
610-66-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00007183
IUPAC Name:
2-(2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChI Key:
YPRFCQAWSNWRLM-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1[N+](=O)[O-]
EC Number:
210-231-0
UNII:
7859F455K6
NSC Number:
99338
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties