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161988-46-1 | Methanone, (2-bromophenyl)-1H-pyrrol-1-yl-
CAS No: 161988-46-1 Catalog No: AG001SLH MDL No:
Product Description
Catalog Number:
AG001SLH
Chemical Name:
Methanone, (2-bromophenyl)-1H-pyrrol-1-yl-
CAS Number:
161988-46-1
Molecular Formula:
C11H8BrNO
Molecular Weight:
250.0913
IUPAC Name:
(2-bromophenyl)-pyrrol-1-ylmethanone
InChI:
InChI=1S/C11H8BrNO/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-8H
InChI Key:
SPSKDFVUMFGFRN-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)n1cccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.095g/mol
Monoisotopic Mass:
248.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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