Home Halogens 5-bromo-1-(difluoromethyl)-1H-indole

5-bromo-1-(difluoromethyl)-1H-indole

CAS No.:
1594578-70-7
Catalog Number:
AG01BXIL
Molecular Formula:
C9H6BrF2N
Molecular Weight:
246.0514
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Product Description
Catalog Number:
AG01BXIL
Chemical Name:
5-bromo-1-(difluoromethyl)-1H-indole
CAS Number:
1594578-70-7
Molecular Formula:
C9H6BrF2N
Molecular Weight:
246.0514
MDL Number:
MFCD30219931
IUPAC Name:
5-bromo-1-(difluoromethyl)indole
InChI:
InChI=1S/C9H6BrF2N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChI Key:
RAYNMWDBGPEOCC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccn2C(F)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.965g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.055g/mol
Monoisotopic Mass:
244.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties