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Home > Imidazoles > 88578-12-5
88578-12-5 | 2-Butanone, 4-(1H-benzimidazol-1-yl)-, oxime
CAS No: 88578-12-5 Catalog No: AG008BF6 MDL No:
Product Description
Catalog Number:
AG008BF6
Chemical Name:
2-Butanone, 4-(1H-benzimidazol-1-yl)-, oxime
CAS Number:
88578-12-5
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
N-[4-(benzimidazol-1-yl)butan-2-ylidene]hydroxylamine
InChI:
InChI=1S/C11H13N3O/c1-9(13-15)6-7-14-8-12-10-4-2-3-5-11(10)14/h2-5,8,15H,6-7H2,1H3
InChI Key:
CMUSASQANPCZKH-UHFFFAOYSA-N
SMILES:
ON=C(CCn1cnc2c1cccc2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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