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159029-70-6 | 2-Bromo-N-cyclohexylbenzamide
CAS No: 159029-70-6 Catalog No: AG01FF7A MDL No:
Product Description
Catalog Number:
AG01FF7A
Chemical Name:
2-Bromo-N-cyclohexylbenzamide
CAS Number:
159029-70-6
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
2-bromo-N-cyclohexylbenzamide
InChI:
InChI=1S/C13H16BrNO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
InChI Key:
KBGIFYWNZXHYIR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)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:
2.8
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