Home Nitros 3-isopropoxy-4-nitrobenzoic acid

3-isopropoxy-4-nitrobenzoic acid

CAS No.:
379261-85-5
Catalog Number:
AG00CMC8
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
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Product Description
Catalog Number:
AG00CMC8
Chemical Name:
3-isopropoxy-4-nitrobenzoic acid
CAS Number:
379261-85-5
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD14583078
IUPAC Name:
4-nitro-3-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11NO5/c1-6(2)16-9-5-7(10(12)13)3-4-8(9)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key:
USHZRNJOYADWDS-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(ccc1[N+](=O)[O-])C(=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:
2.6  
Properties