Home Nitros (4-formylphenyl) 3-nitrobenzoate

(4-formylphenyl) 3-nitrobenzoate

CAS No.:
359644-57-8
Catalog Number:
AG00I74L
Molecular Formula:
C14H9NO5
Molecular Weight:
271.2250
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Product Description
Catalog Number:
AG00I74L
Chemical Name:
(4-formylphenyl) 3-nitrobenzoate
CAS Number:
359644-57-8
Molecular Formula:
C14H9NO5
Molecular Weight:
271.2250
MDL Number:
MFCD00429190
IUPAC Name:
(4-formylphenyl) 3-nitrobenzoate
InChI:
InChI=1S/C14H9NO5/c16-9-10-4-6-13(7-5-10)20-14(17)11-2-1-3-12(8-11)15(18)19/h1-9H
InChI Key:
LHPZKPAQBMCACL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.048g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.228g/mol
Monoisotopic Mass:
271.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties