Home Carboxys 2-isopropyl-1H-benzo[d]imidazole-4-carboxylic acid

2-isopropyl-1H-benzo[d]imidazole-4-carboxylic acid

CAS No.:
916075-96-2
Catalog Number:
AG01BJ7Z
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
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Product Description
Catalog Number:
AG01BJ7Z
Chemical Name:
2-isopropyl-1H-benzo[d]imidazole-4-carboxylic acid
CAS Number:
916075-96-2
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD17273103
IUPAC Name:
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C11H12N2O2/c1-6(2)10-12-8-5-3-4-7(11(14)15)9(8)13-10/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChI Key:
RKFFMBLKMOKZJA-UHFFFAOYSA-N
SMILES:
CC(c1nc2c([nH]1)cccc2C(=O)O)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties