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Home > Imidazoles > 52099-72-6
52099-72-6 | 1-Isopropenyl-2-benzimidazolone
CAS No: 52099-72-6 Catalog No: AG0032J8 MDL No:MFCD00218253
Product Description
Catalog Number:
AG0032J8
Chemical Name:
1-Isopropenyl-2-benzimidazolone
CAS Number:
52099-72-6
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00218253
IUPAC Name:
3-prop-1-en-2-yl-1H-benzimidazol-2-one
InChI:
InChI=1S/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)
InChI Key:
XFASJWLBXHWUMW-UHFFFAOYSA-N
SMILES:
CC(=C)n1c(=O)[nH]c2c1cccc2
EC Number:
257-661-5
NSC Number:
280600
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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