CAS: 284030-59-7
名称: methyl 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoate
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1Nc1ccccc1CMolecular Processing
Molecular formula
C15H14FN3O4
Molecular weight
319.29
Exact mass
319.0968
XLogP
3.15
TPSA
107.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
83.27
Supplementary Information
InChIKey: KRPWDRSTWRLIFG-UHFFFAOYSA-N
同義語
SCHEMBL1077769KRPWDRSTWRLIFG-UHFFFAOYSA-NDTXSID201135393METHYL 4-AMINO-3-FLUORO-5-NITRO-2-(2-TOLUIDINO)BENZOATE284030-59-7DB-130036methyl 2-(o-tolylamino)-4-amino-3-fluoro-5-nitrobenzoatemethyl 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoate4-Amino-3-fluoro-5-nitro-2-o-tolylamino-benzoic acid methyl estermethyl 4-amino-3-fluoro-2-(2-methyl-phenylamino)-5-nitrobenzoateBenzoic acid, 4-amino-3-fluoro-2-[(2-methylphenyl)amino]-5-nitro-, methyl ester
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