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918321-31-0 | Benzoic acid, 2,4-diamino-3-fluoro-5-nitro-
CAS No: 918321-31-0 Catalog No: AG006GCU MDL No:
Product Description
Catalog Number:
AG006GCU
Chemical Name:
Benzoic acid, 2,4-diamino-3-fluoro-5-nitro-
CAS Number:
918321-31-0
Molecular Formula:
C7H6FN3O4
Molecular Weight:
215.1386
IUPAC Name:
2,4-diamino-3-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H6FN3O4/c8-4-5(9)2(7(12)13)1-3(6(4)10)11(14)15/h1H,9-10H2,(H,12,13)
InChI Key:
PZDKCKWTTLFOIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1N)F)N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.14g/mol
Monoisotopic Mass:
215.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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