Home Nitros Benzoic acid, 3-ethoxy-4-nitro- (9CI)

Benzoic acid, 3-ethoxy-4-nitro- (9CI)

CAS No.:
367501-32-4
Catalog Number:
AG00C6ER
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
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Product Description
Catalog Number:
AG00C6ER
Chemical Name:
Benzoic acid, 3-ethoxy-4-nitro- (9CI)
CAS Number:
367501-32-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD14543048
IUPAC Name:
3-ethoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-8-5-6(9(11)12)3-4-7(8)10(13)14/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
ZWPRGHWABASJLH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties