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41969-16-8 | 2-ethylquinoline-3-carbonitrile
CAS No: 41969-16-8 Catalog No: AG00742U MDL No:MFCD28339586
Product Description
Catalog Number:
AG00742U
Chemical Name:
2-ethylquinoline-3-carbonitrile
CAS Number:
41969-16-8
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
MDL Number:
MFCD28339586
IUPAC Name:
2-ethylquinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2/c1-2-11-10(8-13)7-9-5-3-4-6-12(9)14-11/h3-7H,2H2,1H3
InChI Key:
ISSPSTYHPIEYLF-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2nc1CC
NSC Number:
126222
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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