Home Halogens 1-(5-bromo-1H-indol-3-yl)-2-phenylethan-1-one

1-(5-bromo-1H-indol-3-yl)-2-phenylethan-1-one

CAS No.:
1069051-39-3
Catalog Number:
AG01C1F2
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
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Product Description
Catalog Number:
AG01C1F2
Chemical Name:
1-(5-bromo-1H-indol-3-yl)-2-phenylethan-1-one
CAS Number:
1069051-39-3
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
MDL Number:
MFCD12569252
IUPAC Name:
1-(5-bromo-1H-indol-3-yl)-2-phenylethanone
InChI:
InChI=1S/C16H12BrNO/c17-12-6-7-15-13(9-12)14(10-18-15)16(19)8-11-4-2-1-3-5-11/h1-7,9-10,18H,8H2
InChI Key:
VHMKKWGDNCIPDO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C(=O)Cc1ccccc1
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.01g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.182g/mol
Monoisotopic Mass:
313.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties