Home Nitros 2-(4-Morpholinyl)-3-nitrobenzoic acid

2-(4-Morpholinyl)-3-nitrobenzoic acid

CAS No.:
890091-58-4
Catalog Number:
AG00J9PL
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
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Product Description
Catalog Number:
AG00J9PL
Chemical Name:
2-(4-Morpholinyl)-3-nitrobenzoic acid
CAS Number:
890091-58-4
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD06809611
IUPAC Name:
2-morpholin-4-yl-3-nitrobenzoic acid
InChI:
InChI=1S/C11H12N2O5/c14-11(15)8-2-1-3-9(13(16)17)10(8)12-4-6-18-7-5-12/h1-3H,4-7H2,(H,14,15)
InChI Key:
HMDGHIWDEAZTDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties