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834895-52-2 | Methanone, [3-bromo-4-(1-pyrrolidinyl)phenyl]phenyl-
CAS No: 834895-52-2 Catalog No: AG0050NF MDL No:
Product Description
Catalog Number:
AG0050NF
Chemical Name:
Methanone, [3-bromo-4-(1-pyrrolidinyl)phenyl]phenyl-
CAS Number:
834895-52-2
Molecular Formula:
C17H16BrNO
Molecular Weight:
330.2190
IUPAC Name:
(3-bromo-4-pyrrolidin-1-ylphenyl)-phenylmethanone
InChI:
InChI=1S/C17H16BrNO/c18-15-12-14(17(20)13-6-2-1-3-7-13)8-9-16(15)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2
InChI Key:
JUXYZCBMFBGDDX-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1N1CCCC1)C(=O)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.225g/mol
Monoisotopic Mass:
329.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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