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86505-94-4 | Methyl 2-amino-6-fluorobenzoate
CAS No: 86505-94-4 Catalog No: AG0036DS MDL No:MFCD01763810
Product Description
Catalog Number:
AG0036DS
Chemical Name:
Methyl 2-amino-6-fluorobenzoate
CAS Number:
86505-94-4
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD01763810
IUPAC Name:
methyl 2-amino-6-fluorobenzoate
InChI:
InChI=1S/C8H8FNO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChI Key:
VKJYAPKCOSGXAD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)cccc1F
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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