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Home > Bromides > 1272755-98-2
1272755-98-2 | 1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-bromo-4-fluorophenyl)-
CAS No: 1272755-98-2 Catalog No: AG000WU3 MDL No:MFCD18651742
Product Description
Catalog Number:
AG000WU3
Chemical Name:
1,4-Diazaspiro[4.4]nonan-2-one, 3-(3-bromo-4-fluorophenyl)-
CAS Number:
1272755-98-2
Molecular Formula:
C13H14BrFN2O
Molecular Weight:
313.1655
MDL Number:
MFCD18651742
IUPAC Name:
2-(3-bromo-4-fluorophenyl)-1,4-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H14BrFN2O/c14-9-7-8(3-4-10(9)15)11-12(18)17-13(16-11)5-1-2-6-13/h3-4,7,11,16H,1-2,5-6H2,(H,17,18)
InChI Key:
TVCPDZXCQAVGBQ-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccc(c(c1)Br)F)CCCC2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.17g/mol
Monoisotopic Mass:
312.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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