CC1=CC(=C(C(=C1Br)F)OC)N
名称: 4-bromo-3-fluoro-2-methoxy-5-methylaniline
SMILES: CC1=CC(=C(C(=C1Br)F)OC)N

Molecular Processing

Molecular formula
C8H9BrFNO
Molecular weight
234.07
Exact mass
232.9852
XLogP
2.49
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
49.8

Supplementary Information

InChIKey: KRLBPHXGDZFGKL-UHFFFAOYSA-N
同義語
4-Bromo-3-fluoro-2-methoxy-5-methylanilineSCHEMBL3293595KRLBPHXGDZFGKL-UHFFFAOYSA-N
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