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1025127-32-5 | Benzoic acid, 5-amino-2-fluoro-3-hydroxy-
CAS No: 1025127-32-5 Catalog No: AG0007MI MDL No:MFCD24038998
Product Description
Catalog Number:
AG0007MI
Chemical Name:
Benzoic acid, 5-amino-2-fluoro-3-hydroxy-
CAS Number:
1025127-32-5
Molecular Formula:
C7H6FNO3
Molecular Weight:
171.1258
MDL Number:
MFCD24038998
IUPAC Name:
5-amino-2-fluoro-3-hydroxybenzoic acid
InChI:
InChI=1S/C7H6FNO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,9H2,(H,11,12)
InChI Key:
MTWVJKPFMPPDPV-UHFFFAOYSA-N
SMILES:
Nc1cc(O)c(c(c1)C(=O)O)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.127g/mol
Monoisotopic Mass:
171.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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