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Home > Bromides > 1810069-98-7
1810069-98-7 | Methanone, (4-bromo-3-fluorophenyl)(3,3-dimethyl-1-azetidinyl)-
CAS No: 1810069-98-7 Catalog No: AG0022KC MDL No:
Product Description
Catalog Number:
AG0022KC
Chemical Name:
Methanone, (4-bromo-3-fluorophenyl)(3,3-dimethyl-1-azetidinyl)-
CAS Number:
1810069-98-7
Molecular Formula:
C12H13BrFNO
Molecular Weight:
286.1401
IUPAC Name:
(4-bromo-3-fluorophenyl)-(3,3-dimethylazetidin-1-yl)methanone
InChI:
InChI=1S/C12H13BrFNO/c1-12(2)6-15(7-12)11(16)8-3-4-9(13)10(14)5-8/h3-5H,6-7H2,1-2H3
InChI Key:
GSABEJUQHPERHK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)Br)N1CC(C1)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.144g/mol
Monoisotopic Mass:
285.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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