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148237-18-7 | 1H-Indole-2-carbonitrile, 3-(4-bromobutyl)-1-methyl-
CAS No: 148237-18-7 Catalog No: AG001FJM MDL No:
Product Description
Catalog Number:
AG001FJM
Chemical Name:
1H-Indole-2-carbonitrile, 3-(4-bromobutyl)-1-methyl-
CAS Number:
148237-18-7
Molecular Formula:
C14H15BrN2
Molecular Weight:
291.1863
IUPAC Name:
3-(4-bromobutyl)-1-methylindole-2-carbonitrile
InChI:
InChI=1S/C14H15BrN2/c1-17-13-8-3-2-6-11(13)12(14(17)10-16)7-4-5-9-15/h2-3,6,8H,4-5,7,9H2,1H3
InChI Key:
DXSPTQAGGQNRKT-UHFFFAOYSA-N
SMILES:
BrCCCCc1c(C#N)n(c2c1cccc2)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.192g/mol
Monoisotopic Mass:
290.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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