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736136-56-4 | trans-4-[2-(2-Bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CAS No: 736136-56-4 Catalog No: AG01F5G7 MDL No:
Product Description
Catalog Number:
AG01F5G7
Chemical Name:
trans-4-[2-(2-Bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CAS Number:
736136-56-4
Molecular Formula:
C15H17BrO3
Molecular Weight:
325.1977
IUPAC Name:
4-[2-(2-bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17BrO3/c16-13-4-2-1-3-12(13)14(17)9-10-5-7-11(8-6-10)15(18)19/h1-4,10-11H,5-9H2,(H,18,19)
InChI Key:
ALNIXWJGPRLYLB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)CC(=O)c1ccccc1Br
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.202g/mol
Monoisotopic Mass:
324.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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