200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1385694-47-2
1385694-47-2 | Cyclohexanecarboxylic acid, 1-(2-bromophenyl)-4-oxo-
CAS No: 1385694-47-2 Catalog No: AG0018QT MDL No:MFCD22423148
Product Description
Catalog Number:
AG0018QT
Chemical Name:
Cyclohexanecarboxylic acid, 1-(2-bromophenyl)-4-oxo-
CAS Number:
1385694-47-2
Molecular Formula:
C13H13BrO3
Molecular Weight:
297.1445
MDL Number:
MFCD22423148
IUPAC Name:
1-(2-bromophenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H13BrO3/c14-11-4-2-1-3-10(11)13(12(16)17)7-5-9(15)6-8-13/h1-4H,5-8H2,(H,16,17)
InChI Key:
CBZHZVQFEHMTGW-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(C(=O)O)c1ccccc1Br
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.148g/mol
Monoisotopic Mass:
296.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.