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123207-39-6 | Benzoic acid, 5-amino-2-fluoro-, ethyl ester
CAS No: 123207-39-6 Catalog No: AG000K62 MDL No:MFCD09037896
Product Description
Catalog Number:
AG000K62
Chemical Name:
Benzoic acid, 5-amino-2-fluoro-, ethyl ester
CAS Number:
123207-39-6
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
MDL Number:
MFCD09037896
IUPAC Name:
ethyl 5-amino-2-fluorobenzoate
InChI:
InChI=1S/C9H10FNO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChI Key:
NNAFCORMAIIDSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)ccc1F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.182g/mol
Monoisotopic Mass:
183.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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