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Home > Imidazoles > 510764-59-7
510764-59-7 | 2-(9H-Benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-ylsulfanyl)-propionic acid
CAS No: 510764-59-7 Catalog No: AG01DI3B MDL No:MFCD03724737
Product Description
Catalog Number:
AG01DI3B
Chemical Name:
2-(9H-Benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-ylsulfanyl)-propionic acid
CAS Number:
510764-59-7
Molecular Formula:
C11H10N4O2S
Molecular Weight:
262.2877
MDL Number:
MFCD03724737
IUPAC Name:
2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C11H10N4O2S/c1-6(9(16)17)18-11-14-13-10-12-7-4-2-3-5-8(7)15(10)11/h2-6H,1H3,(H,12,13)(H,16,17)
InChI Key:
AQXOMXLPRDVPIC-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1n[nH]c2n1c1ccccc1n2)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.287g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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