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126480-32-8 | Benzoic acid, 2-amino-4-fluoro-3-methoxy-
CAS No: 126480-32-8 Catalog No: AG000STX MDL No:MFCD14706679
Product Description
Catalog Number:
AG000STX
Chemical Name:
Benzoic acid, 2-amino-4-fluoro-3-methoxy-
CAS Number:
126480-32-8
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
MDL Number:
MFCD14706679
IUPAC Name:
2-amino-4-fluoro-3-methoxybenzoic acid
InChI:
InChI=1S/C8H8FNO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
GDMDGZTWBKBRRA-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1N)C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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