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736136-15-5 | trans-4-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid
CAS No: 736136-15-5 Catalog No: AG01F8D0 MDL No:
Product Description
Catalog Number:
AG01F8D0
Chemical Name:
trans-4-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
736136-15-5
Molecular Formula:
C14H15BrO3
Molecular Weight:
311.1711
IUPAC Name:
4-(4-bromobenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H15BrO3/c15-12-7-5-10(6-8-12)13(16)9-1-3-11(4-2-9)14(17)18/h5-9,11H,1-4H2,(H,17,18)
InChI Key:
IWFBIELJDOHRIX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.175g/mol
Monoisotopic Mass:
310.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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