Home Nitros 3-(1H-imidazol-1-yl)-4-nitrobenzoic acid

3-(1H-imidazol-1-yl)-4-nitrobenzoic acid

CAS No.:
1548592-76-2
Catalog Number:
AG01AUJQ
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
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Product Description
Catalog Number:
AG01AUJQ
Chemical Name:
3-(1H-imidazol-1-yl)-4-nitrobenzoic acid
CAS Number:
1548592-76-2
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
MDL Number:
MFCD25797568
IUPAC Name:
3-imidazol-1-yl-4-nitrobenzoic acid
InChI:
InChI=1S/C10H7N3O4/c14-10(15)7-1-2-8(13(16)17)9(5-7)12-4-3-11-6-12/h1-6H,(H,14,15)
InChI Key:
CFRZRLOBWUWNOT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1n1cncc1)C(=O)O
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.183g/mol
Monoisotopic Mass:
233.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties