CAS: 3244-23-3
이름: 4-(3-bromopropoxy)-3-methoxybenzonitrile
SMILES:
COC1=C(C=CC(=C1)C#N)OCCCBrMolecular Processing
Molecular formula
C11H12BrNO2
Molecular weight
270.13
Exact mass
269.0051
XLogP
2.73
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
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
0.364
Molar refractivity
61.62
Supplementary Information
InChIKey: NRLISHLIWZEUDI-UHFFFAOYSA-N
동의어
4-(3-bromopropoxy)-3-methoxybenzonitrile3244-23-3Benzonitrile, 4-(3-bromopropoxy)-3-methoxy-4(3-bromopropoxy)-3-methoxybenzonitrileSCHEMBL1545129DTXSID30439703NRLISHLIWZEUDI-UHFFFAOYSA-N4-(3bromopropoxy)-3-methoxybenzonitrile4-(3-bromopropoxy)-3- methoxybenzonitrileA1-05465
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