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941294-22-0 | 3-Bromo-N-cyclohexyl-5-nitrobenzamide
CAS No: 941294-22-0 Catalog No: AG003SWQ MDL No:MFCD09475857
Product Description
Catalog Number:
AG003SWQ
Chemical Name:
3-Bromo-N-cyclohexyl-5-nitrobenzamide
CAS Number:
941294-22-0
Molecular Formula:
C13H15BrN2O3
Molecular Weight:
327.1738
MDL Number:
MFCD09475857
IUPAC Name:
3-bromo-N-cyclohexyl-5-nitrobenzamide
InChI:
InChI=1S/C13H15BrN2O3/c14-10-6-9(7-12(8-10)16(18)19)13(17)15-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,15,17)
InChI Key:
MHSNPMJGUJYBOT-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)[N+](=O)[O-])C(=O)NC1CCCCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.178g/mol
Monoisotopic Mass:
326.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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