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Home > Nitro Compounds > 544701-14-6
544701-14-6 | N-(2-chloro-5-nitrophenyl)cyclohexanecarboxamide
CAS No: 544701-14-6 Catalog No: AG00ITJF MDL No:MFCD02662199
Product Description
Catalog Number:
AG00ITJF
Chemical Name:
N-(2-chloro-5-nitrophenyl)cyclohexanecarboxamide
CAS Number:
544701-14-6
Molecular Formula:
C13H15ClN2O3
Molecular Weight:
282.7228
MDL Number:
MFCD02662199
IUPAC Name:
N-(2-chloro-5-nitrophenyl)cyclohexanecarboxamide
InChI:
InChI=1S/C13H15ClN2O3/c14-11-7-6-10(16(18)19)8-12(11)15-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,17)
InChI Key:
HSJCUTPJMFFQED-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Nc1cc(ccc1Cl)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.724g/mol
Monoisotopic Mass:
282.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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