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Home > Fluorides > 1003709-73-6
1003709-73-6 | Benzoic acid, 4-cyano-2-fluoro-5-nitro-
CAS No: 1003709-73-6 Catalog No: AG0001RW MDL No:MFCD07777145
Product Description
Catalog Number:
AG0001RW
Chemical Name:
Benzoic acid, 4-cyano-2-fluoro-5-nitro-
CAS Number:
1003709-73-6
Molecular Formula:
C8H3FN2O4
Molecular Weight:
210.1188
MDL Number:
MFCD07777145
IUPAC Name:
4-cyano-2-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C8H3FN2O4/c9-6-1-4(3-10)7(11(14)15)2-5(6)8(12)13/h1-2H,(H,12,13)
InChI Key:
VETQVQIUKQNKHY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.12g/mol
Monoisotopic Mass:
210.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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