COC1=C(C=C(C=C1)Br)C#N
CAS: 144649-99-0
名称: 5-bromo-2-methoxybenzonitrile
SMILES: COC1=C(C=C(C=C1)Br)C#N

Molecular Processing

Molecular formula
C8H6BrNO
Molecular weight
212.05
Exact mass
210.9633
XLogP
2.33
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.41

Supplementary Information

InChIKey: LOASAXVECBZCRJ-UHFFFAOYSA-N
同義語
5-bromo-2-methoxybenzonitrile144649-99-0DTXSID20403079RefChem:102139DTXCID70353934604-428-45-bromo-2-methoxy-benzonitrile4-Bromo-2-cyanoanisoleBenzonitrile, 5-bromo-2-methoxy-MFCD001434295-bromo-2-(methyloxy)benzonitrileBenzonitrile, 5-?bromo-?2-?methoxy-5-bromo-2-methoxybenzenecarbonitrileSCHEMBL393816SCHEMBL1096638SCHEMBL29964800LOASAXVECBZCRJ-UHFFFAOYSA-NALBB-008949BBL016173SBB020096STK3489125-Bromo-2-methoxybenzonitrile, 96%AKOS000113861FB55228PB48608PS-5783SY030630DB-063551B3123CS-0042159
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