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7511-32-2

7511-32-2 | CYCLOHEXYL 4-NITROBENZOATE

CAS No: 7511-32-2 Catalog No: AG0056LH MDL No:

Product Description

Catalog Number:
AG0056LH
Chemical Name:
CYCLOHEXYL 4-NITROBENZOATE
CAS Number:
7511-32-2
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
cyclohexyl 4-nitrobenzoate
InChI:
InChI=1S/C13H15NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h6-9,12H,1-5H2
InChI Key:
SXERGDOODBLTMY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OC1CCCCC1
NSC Number:
406949

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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