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Home > Fluorides > 1007113-04-3
1007113-04-3 | Benzoic acid, 5-fluoro-3-methoxy-2-nitro-
CAS No: 1007113-04-3 Catalog No: AG0002OM MDL No:MFCD22565642
Product Description
Catalog Number:
AG0002OM
Chemical Name:
Benzoic acid, 5-fluoro-3-methoxy-2-nitro-
CAS Number:
1007113-04-3
Molecular Formula:
C8H6FNO5
Molecular Weight:
215.1353
MDL Number:
MFCD22565642
IUPAC Name:
5-fluoro-3-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO5/c1-15-6-3-4(9)2-5(8(11)12)7(6)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JKBWWRZRHVTZAW-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1[N+](=O)[O-])C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.136g/mol
Monoisotopic Mass:
215.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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