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130190-60-2 | Methanone, (5-bromo-1H-pyrrol-2-yl)phenyl-
CAS No: 130190-60-2 Catalog No: AG000U3Y MDL No:
Product Description
Catalog Number:
AG000U3Y
Chemical Name:
Methanone, (5-bromo-1H-pyrrol-2-yl)phenyl-
CAS Number:
130190-60-2
Molecular Formula:
C11H8BrNO
Molecular Weight:
250.0913
IUPAC Name:
(5-bromo-1H-pyrrol-2-yl)-phenylmethanone
InChI:
InChI=1S/C11H8BrNO/c12-10-7-6-9(13-10)11(14)8-4-2-1-3-5-8/h1-7,13H
InChI Key:
PGGMZYNSGDBCEH-UHFFFAOYSA-N
SMILES:
Brc1ccc([nH]1)C(=O)c1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
250.095g/mol
Monoisotopic Mass:
248.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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