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59507-55-0 | 3-Bromo-N-cyclohexylbenzamide
CAS No: 59507-55-0 Catalog No: AG003SWR MDL No:MFCD00554081
Product Description
Catalog Number:
AG003SWR
Chemical Name:
3-Bromo-N-cyclohexylbenzamide
CAS Number:
59507-55-0
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
MDL Number:
MFCD00554081
IUPAC Name:
3-bromo-N-cyclohexylbenzamide
InChI:
InChI=1S/C13H16BrNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChI Key:
VRUMXGVWUFXLAH-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)NC1CCCCC1
Properties
Complexity:
238
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
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