Home Nitros Ethyl 3-nitrobenzoate

Ethyl 3-nitrobenzoate

CAS No.:
618-98-4
Catalog Number:
AG003Q8A
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG003Q8A
Chemical Name:
Ethyl 3-nitrobenzoate
CAS Number:
618-98-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00014702
IUPAC Name:
ethyl 3-nitrobenzoate
InChI:
InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
InChI Key:
MKBIJCPQTPFQKQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
210-574-6
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Studies on the toxicity and efficacy of some ester analogues of dapsone in vitro using rat and human tissues. Environmental toxicology and pharmacology 20020801
Properties