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1385694-79-0 | Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-, methyl ester
CAS No: 1385694-79-0 Catalog No: AG0018R6 MDL No:MFCD22423146
Product Description
Catalog Number:
AG0018R6
Chemical Name:
Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-, methyl ester
CAS Number:
1385694-79-0
Molecular Formula:
C14H15BrO3
Molecular Weight:
311.1711
MDL Number:
MFCD22423146
IUPAC Name:
methyl 1-(3-bromophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H15BrO3/c1-18-13(17)14(7-5-12(16)6-8-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3
InChI Key:
YPBHRRTXSHSEHE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1cccc(c1)Br
Properties
Complexity:
330
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:
0
Isotope Atom Count:
0
Molecular Weight:
311.175g/mol
Monoisotopic Mass:
310.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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