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Home > Fluorides > 1378521-08-4
1378521-08-4 | Benzoic acid, 4-fluoro-3,5-dihydroxy-
CAS No: 1378521-08-4 Catalog No: AG0013XZ MDL No:
Product Description
Catalog Number:
AG0013XZ
Chemical Name:
Benzoic acid, 4-fluoro-3,5-dihydroxy-
CAS Number:
1378521-08-4
Molecular Formula:
C7H5FO4
Molecular Weight:
172.1106
IUPAC Name:
4-fluoro-3,5-dihydroxybenzoic acid
InChI:
InChI=1S/C7H5FO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)
InChI Key:
IQKUTUDIIBDICB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(c(c1)O)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.111g/mol
Monoisotopic Mass:
172.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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