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124340-96-1 | 1H-Benzimidazole-7-carboxylic acid, 2-[4-(dimethylamino)phenyl]-
CAS No: 124340-96-1 Catalog No: AG000LVV MDL No:MFCD07371393
Product Description
Catalog Number:
AG000LVV
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-[4-(dimethylamino)phenyl]-
CAS Number:
124340-96-1
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD07371393
IUPAC Name:
2-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C16H15N3O2/c1-19(2)11-8-6-10(7-9-11)15-17-13-5-3-4-12(16(20)21)14(13)18-15/h3-9H,1-2H3,(H,17,18)(H,20,21)
InChI Key:
AENBPQWURKTNBE-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nc2c([nH]1)c(ccc2)C(=O)O)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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