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Home > Bromides > 1186663-64-8
1186663-64-8 | 3-Bromo-1H-indole-4-carbonitrile
CAS No: 1186663-64-8 Catalog No: AG003J1M MDL No:MFCD12828700
Product Description
Catalog Number:
AG003J1M
Chemical Name:
3-Bromo-1H-indole-4-carbonitrile
CAS Number:
1186663-64-8
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD12828700
IUPAC Name:
3-bromo-1H-indole-4-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-7-5-12-8-3-1-2-6(4-11)9(7)8/h1-3,5,12H
InChI Key:
FFSJNHMOWYMQJQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(Br)c[nH]2
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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