COC(=O)C1=CC(=C(C=C1O)N)Cl
CAS: 129511-06-4
الاسم: methyl 4-amino-5-chloro-2-hydroxybenzoate
SMILES: COC(=O)C1=CC(=C(C=C1O)N)Cl

Molecular Processing

Molecular formula
C8H8ClNO3
Molecular weight
201.61
Exact mass
201.0193
XLogP
1.41
TPSA
72.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
48.87

Supplementary Information

InChIKey: SXMFZXQWMHJMOH-UHFFFAOYSA-N
مرادفات
methyl 4-amino-5-chloro-2-hydroxybenzoate129511-06-4MFCD24387293Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester4-amino-5-chloro-2-hydroxybenzoic acid methyl esterYVA4XM9HWCPrucalopride Impurity 63SCHEMBL3566173DTXSID90564984methyl 4-amino-5-chlorosalicylateSXMFZXQWMHJMOH-UHFFFAOYSA-NEFA51106AC3675AKOS024210143AS-69854methyl4-amino-5-chloro-2-hydroxybenzoateSY214679DB-143286methyl 4-amino-5-chloro-2-hydroxy-benzoateCS-0094578EN300-268418F6162514-Amino-5-chloro-2-hydroxybenzoic acid, methyl esterZ1509391012
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