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1022931-81-2 | Methanone, (4-bromo-3-fluorophenyl)-1-pyrrolidinyl-
CAS No: 1022931-81-2 Catalog No: AG00074Q MDL No:MFCD16084861
Product Description
Catalog Number:
AG00074Q
Chemical Name:
Methanone, (4-bromo-3-fluorophenyl)-1-pyrrolidinyl-
CAS Number:
1022931-81-2
Molecular Formula:
C11H11BrFNO
Molecular Weight:
272.1135
MDL Number:
MFCD16084861
IUPAC Name:
(4-bromo-3-fluorophenyl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C11H11BrFNO/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChI Key:
AUZRFYSGXUWWTL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)Br)N1CCCC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.117g/mol
Monoisotopic Mass:
271.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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