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223553-87-5 | 4-Bromo-N-cyclohexylbenzamide
CAS No: 223553-87-5 Catalog No: AG003SWW MDL No:MFCD00451750
Product Description
Catalog Number:
AG003SWW
Chemical Name:
4-Bromo-N-cyclohexylbenzamide
CAS Number:
223553-87-5
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
MDL Number:
MFCD00451750
IUPAC Name:
4-bromo-N-cyclohexylbenzamide
InChI:
InChI=1S/C13H16BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,15,16)
InChI Key:
DGWYSLFXFNWAMT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)NC1CCCCC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides. | Nature chemistry 20120221 |
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