Home Aminos Benzoic acid, 3-fluoro-2-(methylamino)-

Benzoic acid, 3-fluoro-2-(methylamino)-

CAS No.:
1250921-20-0
Catalog Number:
AG000N47
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
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Product Description
Catalog Number:
AG000N47
Chemical Name:
Benzoic acid, 3-fluoro-2-(methylamino)-
CAS Number:
1250921-20-0
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD16836059
IUPAC Name:
3-fluoro-2-(methylamino)benzoic acid
InChI:
InChI=1S/C8H8FNO2/c1-10-7-5(8(11)12)3-2-4-6(7)9/h2-4,10H,1H3,(H,11,12)
InChI Key:
FWNQKUNYEZRNLQ-UHFFFAOYSA-N
SMILES:
CNc1c(F)cccc1C(=O)O
Properties
Complexity:
174  
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:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties