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Home > Bromides > 1167055-46-0
1167055-46-0 | 4-Bromo-1H-indole-7-carbonitrile
CAS No: 1167055-46-0 Catalog No: AG000D14 MDL No:MFCD11845629
Product Description
Catalog Number:
AG000D14
Chemical Name:
4-Bromo-1H-indole-7-carbonitrile
CAS Number:
1167055-46-0
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD11845629
IUPAC Name:
4-bromo-1H-indole-7-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-8-2-1-6(5-11)9-7(8)3-4-12-9/h1-4,12H
InChI Key:
JRCFPOKROROTNV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1[nH]cc2)Br
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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