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Home > Bromides > 1385694-54-1
1385694-54-1 | Cyclohexanecarboxylic acid, 1-(3-bromo-4-fluorophenyl)-4-oxo-, methyl ester
CAS No: 1385694-54-1 Catalog No: AG0018QM MDL No:MFCD22423121
Product Description
Catalog Number:
AG0018QM
Chemical Name:
Cyclohexanecarboxylic acid, 1-(3-bromo-4-fluorophenyl)-4-oxo-, methyl ester
CAS Number:
1385694-54-1
Molecular Formula:
C14H14BrFO3
Molecular Weight:
329.1616
MDL Number:
MFCD22423121
IUPAC Name:
methyl 1-(3-bromo-4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H14BrFO3/c1-19-13(18)14(6-4-10(17)5-7-14)9-2-3-12(16)11(15)8-9/h2-3,8H,4-7H2,1H3
InChI Key:
UMKFQIUGUWNJHW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccc(c(c1)Br)F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.165g/mol
Monoisotopic Mass:
328.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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