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Home > Bromides > 1385694-72-3
1385694-72-3 | Cyclohexanecarboxylic acid, 1-(2-bromo-5-chlorophenyl)-4-oxo-, methyl ester
CAS No: 1385694-72-3 Catalog No: AG0018RD MDL No:MFCD22423120
Product Description
Catalog Number:
AG0018RD
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-bromo-5-chlorophenyl)-4-oxo-, methyl ester
CAS Number:
1385694-72-3
Molecular Formula:
C14H14BrClO3
Molecular Weight:
345.6162
MDL Number:
MFCD22423120
IUPAC Name:
methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H14BrClO3/c1-19-13(18)14(6-4-10(17)5-7-14)11-8-9(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3
InChI Key:
FPNIXRNMPVEHLI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1cc(Cl)ccc1Br
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.617g/mol
Monoisotopic Mass:
343.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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