CAS: 1000587-31-4
Название: methyl 3-amino-5-(4-methylphenyl)benzoate
SMILES:
CC1=CC=C(C=C1)C2=CC(=CC(=C2)N)C(=O)OCMolecular Processing
Molecular formula
C15H15NO2
Molecular weight
241.29
Exact mass
241.1103
XLogP
3.03
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
72.37
Supplementary Information
InChIKey: IQQPUQIPEUETMX-UHFFFAOYSA-N
Синонимы
Methyl 5-amino-4'-methyl-[1,1'-biphenyl]-3-carboxylateSCHEMBL310741IQQPUQIPEUETMX-UHFFFAOYSA-NMethyl 5-amino-4'-methylbiphenyl-3-carboxylateA1-473865-Amino-4'-methyl-biphenyl-3-carboxylic acid methyl ester1000587-31-4
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