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128992-62-1 | Benzoic acid, 4-fluoro-2-(methylamino)-
CAS No: 128992-62-1 Catalog No: AG000YQT MDL No:MFCD11054083
Product Description
Catalog Number:
AG000YQT
Chemical Name:
Benzoic acid, 4-fluoro-2-(methylamino)-
CAS Number:
128992-62-1
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD11054083
IUPAC Name:
4-fluoro-2-(methylamino)benzoic acid
InChI:
InChI=1S/C8H8FNO2/c1-10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:
NKTZRZBSADJAJL-UHFFFAOYSA-N
SMILES:
CNc1cc(F)ccc1C(=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
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