Home Aminos 4-(dimethylamino)-2-fluoro-5-nitrobenzoic acid

4-(dimethylamino)-2-fluoro-5-nitrobenzoic acid

CAS No.:
1564821-05-1
Catalog Number:
AG01BFZM
Molecular Formula:
C9H9FN2O4
Molecular Weight:
228.1772
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Product Description
Catalog Number:
AG01BFZM
Chemical Name:
4-(dimethylamino)-2-fluoro-5-nitrobenzoic acid
CAS Number:
1564821-05-1
Molecular Formula:
C9H9FN2O4
Molecular Weight:
228.1772
MDL Number:
MFCD26853063
IUPAC Name:
4-(dimethylamino)-2-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9FN2O4/c1-11(2)7-4-6(10)5(9(13)14)3-8(7)12(15)16/h3-4H,1-2H3,(H,13,14)
InChI Key:
WUEQHJJDPRMPAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1N(C)C)F
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.179g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties