Home Nitros 2-nitro-5-(propan-2-yloxy)benzoic acid

2-nitro-5-(propan-2-yloxy)benzoic acid

CAS No.:
78361-08-7
Catalog Number:
AG019UIG
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
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Product Description
Catalog Number:
AG019UIG
Chemical Name:
2-nitro-5-(propan-2-yloxy)benzoic acid
CAS Number:
78361-08-7
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD09814881
IUPAC Name:
2-nitro-5-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11NO5/c1-6(2)16-7-3-4-9(11(14)15)8(5-7)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
MHNZLVZHPKIHLO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties