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1170167-90-4 | Benzoic acid, 2-amino-6-fluoro-, methyl ester, hydrochloride (1:1)
CAS No: 1170167-90-4 Catalog No: AG000DK7 MDL No:MFCD09910179
Product Description
Catalog Number:
AG000DK7
Chemical Name:
Benzoic acid, 2-amino-6-fluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
1170167-90-4
Molecular Formula:
C8H9ClFNO2
Molecular Weight:
205.6140
MDL Number:
MFCD09910179
IUPAC Name:
methyl 2-amino-6-fluorobenzoate;hydrochloride
InChI:
InChI=1S/C8H8FNO2.ClH/c1-12-8(11)7-5(9)3-2-4-6(7)10;/h2-4H,10H2,1H3;1H
InChI Key:
KZEIDSYGZLGEDR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)cccc1F.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.613g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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