Home Nitriles 3-Chloro-4-nitrobenzonitrile

3-Chloro-4-nitrobenzonitrile

CAS No.:
34662-29-8
Catalog Number:
AG007D5F
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$152
- +
Product Description
Catalog Number:
AG007D5F
Chemical Name:
3-Chloro-4-nitrobenzonitrile
CAS Number:
34662-29-8
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD02317167
IUPAC Name:
3-chloro-4-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChI Key:
PAIMPYHIOHKXAT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)[N+](=O)[O-]
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.563g/mol
Monoisotopic Mass:
181.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties