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Home > Bromides > 1385694-74-5
1385694-74-5 | Cyclohexanecarboxylic acid, 1-(2-bromo-5-chlorophenyl)-4-oxo-
CAS No: 1385694-74-5 Catalog No: AG0018RB MDL No:MFCD22423117
Product Description
Catalog Number:
AG0018RB
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-bromo-5-chlorophenyl)-4-oxo-
CAS Number:
1385694-74-5
Molecular Formula:
C13H12BrClO3
Molecular Weight:
331.5896
MDL Number:
MFCD22423117
IUPAC Name:
1-(2-bromo-5-chlorophenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H12BrClO3/c14-11-2-1-8(15)7-10(11)13(12(17)18)5-3-9(16)4-6-13/h1-2,7H,3-6H2,(H,17,18)
InChI Key:
LSAVMDAFHZLHGX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=O)CC1)c1cc(Cl)ccc1Br
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.966g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.59g/mol
Monoisotopic Mass:
329.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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