Home Sulfos 2-Fluoro-5-(morpholin-4-ylsulfonyl)benzoic acid

2-Fluoro-5-(morpholin-4-ylsulfonyl)benzoic acid

CAS No.:
326609-39-6
Catalog Number:
AG00I67C
Molecular Formula:
C11H12FNO5S
Molecular Weight:
289.2801
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Product Description
Catalog Number:
AG00I67C
Chemical Name:
2-Fluoro-5-(morpholin-4-ylsulfonyl)benzoic acid
CAS Number:
326609-39-6
Molecular Formula:
C11H12FNO5S
Molecular Weight:
289.2801
MDL Number:
MFCD02699875
IUPAC Name:
2-fluoro-5-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H12FNO5S/c12-10-2-1-8(7-9(10)11(14)15)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
YCAZLVRLLIGVAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Properties
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.042g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.277g/mol
Monoisotopic Mass:
289.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties