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1215205-91-6 | 1H-Benzimidazole-6-carbonitrile, 1-ethyl-
CAS No: 1215205-91-6 Catalog No: AG00156H MDL No:MFCD13195705
Product Description
Catalog Number:
AG00156H
Chemical Name:
1H-Benzimidazole-6-carbonitrile, 1-ethyl-
CAS Number:
1215205-91-6
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD13195705
IUPAC Name:
3-ethylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C10H9N3/c1-2-13-7-12-9-4-3-8(6-11)5-10(9)13/h3-5,7H,2H2,1H3
InChI Key:
YVGPAABTBQUTNC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)n(CC)cn2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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