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918321-27-4 | Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester
CAS No: 918321-27-4 Catalog No: AG006GCV MDL No:
Product Description
Catalog Number:
AG006GCV
Chemical Name:
Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester
CAS Number:
918321-27-4
Molecular Formula:
C8H10FN3O2
Molecular Weight:
199.1823
IUPAC Name:
methyl 2,4,5-triamino-3-fluorobenzoate
InChI:
InChI=1S/C8H10FN3O2/c1-14-8(13)3-2-4(10)7(12)5(9)6(3)11/h2H,10-12H2,1H3
InChI Key:
RADQVYGLIBGGAP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(c(c1N)F)N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.185g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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