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Home > Bromides > 1388031-98-8
1388031-98-8 | 1H-Indole-5-carbonitrile, 3-bromo-
CAS No: 1388031-98-8 Catalog No: AG0019LJ MDL No:
Product Description
Catalog Number:
AG0019LJ
Chemical Name:
1H-Indole-5-carbonitrile, 3-bromo-
CAS Number:
1388031-98-8
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
IUPAC Name:
3-bromo-1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-8-5-12-9-2-1-6(4-11)3-7(8)9/h1-3,5,12H
InChI Key:
DLRFWHURXGFVTA-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c2c1cc(cc2)C#N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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