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Home > Nitro Compounds > 773870-54-5
773870-54-5 | 2-(cyclohexylsulfanyl)-5-nitrobenzoic acid
CAS No: 773870-54-5 Catalog No: AG01A4Z4 MDL No:MFCD06203361
Product Description
Catalog Number:
AG01A4Z4
Chemical Name:
2-(cyclohexylsulfanyl)-5-nitrobenzoic acid
CAS Number:
773870-54-5
MDL Number:
MFCD06203361
IUPAC Name:
2-cyclohexylsulfanyl-5-nitrobenzoic acid
InChI:
InChI=1S/C13H15NO4S/c15-13(16)11-8-9(14(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)
InChI Key:
OXGCZWKCEIMROU-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.326g/mol
Monoisotopic Mass:
281.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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