Home Halogens 1H-Imidazole,4-chloro-5-nitro-(9CI)

1H-Imidazole,4-chloro-5-nitro-(9CI)

CAS No.:
57531-38-1
Catalog Number:
AG00EGKX
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
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Product Description
Catalog Number:
AG00EGKX
Chemical Name:
1H-Imidazole,4-chloro-5-nitro-(9CI)
CAS Number:
57531-38-1
Molecular Formula:
C3H2ClN3O2
Molecular Weight:
147.5199
MDL Number:
MFCD00748951
IUPAC Name:
4-chloro-5-nitro-1H-imidazole
InChI:
InChI=1S/C3H2ClN3O2/c4-2-3(7(8)9)6-1-5-2/h1H,(H,5,6)
InChI Key:
ZJYZSKPVPVBBFB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc[nH]c1Cl
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.984g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.518g/mol
Monoisotopic Mass:
146.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties