Home Nitriles 3-Amino-2-nitrobenzonitrile

3-Amino-2-nitrobenzonitrile

CAS No.:
408502-45-4
Catalog Number:
AG00378W
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
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Product Description
Catalog Number:
AG00378W
Chemical Name:
3-Amino-2-nitrobenzonitrile
CAS Number:
408502-45-4
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD18389918
IUPAC Name:
3-amino-2-nitrobenzonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-5-2-1-3-6(9)7(5)10(11)12/h1-3H,9H2
InChI Key:
VVLXEASYKMQILM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1[N+](=O)[O-])N
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:
1.3  
Properties