Home Other Building Blocks 2-fluoro-6-(prop-2-ynamido)benzoic acid

2-fluoro-6-(prop-2-ynamido)benzoic acid

CAS No.:
1153237-56-9
Catalog Number:
AG01DTAP
Molecular Formula:
C10H6FNO3
Molecular Weight:
207.1579
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Product Description
Catalog Number:
AG01DTAP
Chemical Name:
2-fluoro-6-(prop-2-ynamido)benzoic acid
CAS Number:
1153237-56-9
Molecular Formula:
C10H6FNO3
Molecular Weight:
207.1579
MDL Number:
MFCD12171307
IUPAC Name:
2-fluoro-6-(prop-2-ynoylamino)benzoic acid
InChI:
InChI=1S/C10H6FNO3/c1-2-8(13)12-7-5-3-4-6(11)9(7)10(14)15/h1,3-5H,(H,12,13)(H,14,15)
InChI Key:
SRCDVJNHNAGOFU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(NC(=O)C#C)cccc1F
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.16g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties