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Home > Imidazoles > 79837-10-8
79837-10-8 | 2-Butanone,4-(1H-benzimidazol-1-yl)-(9CI)
CAS No: 79837-10-8 Catalog No: AG00GNAO MDL No:MFCD11174813
Product Description
Catalog Number:
AG00GNAO
Chemical Name:
2-Butanone,4-(1H-benzimidazol-1-yl)-(9CI)
CAS Number:
79837-10-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD11174813
IUPAC Name:
4-(benzimidazol-1-yl)butan-2-one
InChI:
InChI=1S/C11H12N2O/c1-9(14)6-7-13-8-12-10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3
InChI Key:
ZPAIGQDQDVCVIP-UHFFFAOYSA-N
SMILES:
CC(=O)CCn1cnc2c1cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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