Home Aminos 6-amino-3-fluoro-2-methylbenzoic acid

6-amino-3-fluoro-2-methylbenzoic acid

CAS No.:
1108666-12-1
Catalog Number:
AG01C1KP
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
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Product Description
Catalog Number:
AG01C1KP
Chemical Name:
6-amino-3-fluoro-2-methylbenzoic acid
CAS Number:
1108666-12-1
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD29906786
IUPAC Name:
6-amino-3-fluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H8FNO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
ISXJYNZLKZTCQE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ccc(c1C)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties