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BENZYL 5-NITROFURAN-2-CARBOXYLATE

CAS No.:
22427-65-2
Catalog Number:
AG01EIG7
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
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Product Description
Catalog Number:
AG01EIG7
Chemical Name:
BENZYL 5-NITROFURAN-2-CARBOXYLATE
CAS Number:
22427-65-2
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
MDL Number:
MFCD03155815
IUPAC Name:
benzyl 5-nitrofuran-2-carboxylate
InChI:
InChI=1S/C12H9NO5/c14-12(10-6-7-11(18-10)13(15)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
YZMDGRGKHFIBLH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties