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Home > Nitro Compounds > 176787-42-1
176787-42-1 | Cyclohexyl (4-Nitrophenyl) Carbonate
CAS No: 176787-42-1 Catalog No: AG01DI7A MDL No:MFCD30185827
Product Description
Catalog Number:
AG01DI7A
Chemical Name:
Cyclohexyl (4-Nitrophenyl) Carbonate
CAS Number:
176787-42-1
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
MDL Number:
MFCD30185827
IUPAC Name:
cyclohexyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C13H15NO5/c15-13(18-11-4-2-1-3-5-11)19-12-8-6-10(7-9-12)14(16)17/h6-9,11H,1-5H2
InChI Key:
NTGDMUVJXIBLHH-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC1CCCCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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