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Home > Fluorides > 1001345-80-7
1001345-80-7 | Benzoic acid, 2-fluoro-5-methoxy-4-nitro-
CAS No: 1001345-80-7 Catalog No: AG00011Z MDL No:MFCD26395470
Product Description
Catalog Number:
AG00011Z
Chemical Name:
Benzoic acid, 2-fluoro-5-methoxy-4-nitro-
CAS Number:
1001345-80-7
Molecular Formula:
C8H6FNO5
Molecular Weight:
215.1353
MDL Number:
MFCD26395470
IUPAC Name:
2-fluoro-5-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JXCYBTVSPGQRCM-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1[N+](=O)[O-])F
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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