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Home > Bromides > 1385694-45-0
1385694-45-0 | Cyclohexanecarboxylic acid, 1-(3-bromo-4-fluorophenyl)-4-oxo-
CAS No: 1385694-45-0 Catalog No: AG0018QV MDL No:MFCD22423118
Product Description
Catalog Number:
AG0018QV
Chemical Name:
Cyclohexanecarboxylic acid, 1-(3-bromo-4-fluorophenyl)-4-oxo-
CAS Number:
1385694-45-0
Molecular Formula:
C13H12BrFO3
Molecular Weight:
315.1350
MDL Number:
MFCD22423118
IUPAC Name:
1-(3-bromo-4-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H12BrFO3/c14-10-7-8(1-2-11(10)15)13(12(17)18)5-3-9(16)4-6-13/h1-2,7H,3-6H2,(H,17,18)
InChI Key:
RJFMYUWHXLZDOQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(C(=O)O)c1ccc(c(c1)Br)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.138g/mol
Monoisotopic Mass:
313.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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