Name: Name:Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-
Brand: Angene
SKU: AG0018QN
Rating: 90 (10 reviews)

Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-

CAS No.:

1385694-53-0

Catalog Number:

AG0018QN

Molecular Formula:

C13H13BrO3

Molecular Weight:

297.1445

Catalog Number:

AG0018QN

Chemical Name:

Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-

CAS Number:

1385694-53-0

Molecular Formula:

C13H13BrO3

Molecular Weight:

297.1445

MDL Number:

MFCD22423145

IUPAC Name:

1-(3-bromophenyl)-4-oxocyclohexane-1-carboxylic acid

InChI:

InChI=1S/C13H13BrO3/c14-10-3-1-2-9(8-10)13(12(16)17)6-4-11(15)5-7-13/h1-3,8H,4-7H2,(H,16,17)

InChI Key:

UCHFVVKRPFIJHT-UHFFFAOYSA-N

SMILES:

O=C1CCC(CC1)(C(=O)O)c1cccc(c1)Br

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.148g/mol

Monoisotopic Mass:

296.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1