Name: Name:Cyclohexanecarboxylic acid, 1-(4-bromophenyl)-4-oxo-, methyl ester
Brand: Angene
SKU: AG00194E
Rating: 90 (10 reviews)

Cyclohexanecarboxylic acid, 1-(4-bromophenyl)-4-oxo-, methyl ester

CAS No.:

1384265-30-8

Catalog Number:

AG00194E

Molecular Formula:

C14H15BrO3

Molecular Weight:

311.1711

Catalog Number:

AG00194E

Chemical Name:

Cyclohexanecarboxylic acid, 1-(4-bromophenyl)-4-oxo-, methyl ester

CAS Number:

1384265-30-8

Molecular Formula:

C14H15BrO3

Molecular Weight:

311.1711

MDL Number:

MFCD22423115

IUPAC Name:

methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate

InChI:

InChI=1S/C14H15BrO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3

InChI Key:

KWRSQQQEMTWZTI-UHFFFAOYSA-N

SMILES:

COC(=O)C1(CCC(=O)CC1)c1ccc(cc1)Br

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.175g/mol

Monoisotopic Mass:

310.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4