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Home > Bromides > 1243130-98-4
1243130-98-4 | Cyclohexanone, 2-[(2-bromo-5-fluorophenyl)methyl]-
CAS No: 1243130-98-4 Catalog No: AG000LTI MDL No:
Product Description
Catalog Number:
AG000LTI
Chemical Name:
Cyclohexanone, 2-[(2-bromo-5-fluorophenyl)methyl]-
CAS Number:
1243130-98-4
Molecular Formula:
C13H14BrFO
Molecular Weight:
285.1521
IUPAC Name:
2-[(2-bromo-5-fluorophenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C13H14BrFO/c14-12-6-5-11(15)8-10(12)7-9-3-1-2-4-13(9)16/h5-6,8-9H,1-4,7H2
InChI Key:
CSVZQORANOXMDP-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1cc(F)ccc1Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.156g/mol
Monoisotopic Mass:
284.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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