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Home > Imidazoles > 797780-83-7
797780-83-7 | 4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid
CAS No: 797780-83-7 Catalog No: AG01EXFV MDL No:
Product Description
Catalog Number:
AG01EXFV
Chemical Name:
4-(5-Nitro-1H-benzoimidazol-2-yl)-butyric acid
CAS Number:
797780-83-7
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
InChI:
InChI=1S/C11H11N3O4/c15-11(16)3-1-2-10-12-8-5-4-7(14(17)18)6-9(8)13-10/h4-6H,1-3H2,(H,12,13)(H,15,16)
InChI Key:
IEODTOLGLBSUCD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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