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254892-91-6 | 3-(4-bromophenyl)cyclobutan-1-one
CAS No: 254892-91-6 Catalog No: AG0033GG MDL No:MFCD04038979
Product Description
Catalog Number:
AG0033GG
Chemical Name:
3-(4-bromophenyl)cyclobutan-1-one
CAS Number:
254892-91-6
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD04038979
IUPAC Name:
3-(4-bromophenyl)cyclobutan-1-one
InChI:
InChI=1S/C10H9BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChI Key:
FOQRHYVNXUDNKL-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)c1ccc(cc1)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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