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129833-28-9 | Benzoic acid, 2-amino-4-fluoro-3-methyl-
CAS No: 129833-28-9 Catalog No: AG000TQK MDL No:MFCD01318256
Product Description
Catalog Number:
AG000TQK
Chemical Name:
Benzoic acid, 2-amino-4-fluoro-3-methyl-
CAS Number:
129833-28-9
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD01318256
IUPAC Name:
2-amino-4-fluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H8FNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
WJQGMSCRWIKPGN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)C)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
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