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735275-57-7 | cis-4-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CAS No: 735275-57-7 Catalog No: AG01F5R4 MDL No:
Product Description
Catalog Number:
AG01F5R4
Chemical Name:
cis-4-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CAS Number:
735275-57-7
Molecular Formula:
C15H17BrO3
Molecular Weight:
325.1977
IUPAC Name:
4-[2-(4-bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17BrO3/c16-13-7-5-11(6-8-13)14(17)9-10-1-3-12(4-2-10)15(18)19/h5-8,10,12H,1-4,9H2,(H,18,19)
InChI Key:
UQBNQQLWXYCNJS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)C[C@@H]1CC[C@@H](CC1)C(=O)O
Properties
Complexity:
326
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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