Home Other Building Blocks 3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID

3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID

CAS No.:
103877-75-4
Catalog Number:
AG008UGB
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
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Product Description
Catalog Number:
AG008UGB
Chemical Name:
3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID
CAS Number:
103877-75-4
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD09835203
IUPAC Name:
3-amino-5-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H8FNO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
AGSFFMYPNCKQCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(c(c1)F)C
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:
1.2  
Properties