CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)O
CAS: 597562-33-9
名称: methyl 3-bromo-5-(butylamino)-4-hydroxybenzoate
SMILES: CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)O

Molecular Processing

Molecular formula
C12H16BrNO3
Molecular weight
302.17
Exact mass
301.0314
XLogP
3.15
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.417
Molar refractivity
70.54

Supplementary Information

InChIKey: VWCCCSIXNIZWKB-UHFFFAOYSA-N
同義語
methyl 3-bromo-5-(butylamino)-4-hydroxybenzoate597562-33-9SCHEMBL3357084VWCCCSIXNIZWKB-UHFFFAOYSA-NDTXSID001244932
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