Home Nitriles 3-Chloro-2-nitrobenzonitrile

3-Chloro-2-nitrobenzonitrile

CAS No.:
34662-28-7
Catalog Number:
AG00CM3H
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
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Product Description
Catalog Number:
AG00CM3H
Chemical Name:
3-Chloro-2-nitrobenzonitrile
CAS Number:
34662-28-7
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD15529744
IUPAC Name:
3-chloro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
InChI Key:
HXBSPURMEQYSSS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1[N+](=O)[O-])Cl
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:
2.1  
Properties