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207803-21-2 | Ethanone, 2-bromo-1-(1H-indol-1-yl)-
CAS No: 207803-21-2 Catalog No: AG002JAG MDL No:
Product Description
Catalog Number:
AG002JAG
Chemical Name:
Ethanone, 2-bromo-1-(1H-indol-1-yl)-
CAS Number:
207803-21-2
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
IUPAC Name:
2-bromo-1-indol-1-ylethanone
InChI:
InChI=1S/C10H8BrNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-6H,7H2
InChI Key:
PVNOPTKDBNIIFB-UHFFFAOYSA-N
SMILES:
BrCC(=O)n1ccc2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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