COC1=C(C2=CC=CC(=C2C=C1)C#N)Br
CAS: 103604-47-3
Name: 5-bromo-6-methoxynaphthalene-1-carbonitrile
SMILES: COC1=C(C2=CC=CC(=C2C=C1)C#N)Br

Molecular Processing

Molecular formula
C12H8BrNO
Molecular weight
262.11
Exact mass
260.9789
XLogP
3.48
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.92

Supplementary Information

InChIKey: MLTJLVQKLKQHPC-UHFFFAOYSA-N
Synonyme
103604-47-35-Bromo-6-methoxynaphthalene-1-carbonitrileDTXSID20553321RefChem:301961DTXCID505041045-Bromo-6-methoxy-1-naphthonitrileSCHEMBL9575280MLTJLVQKLKQHPC-UHFFFAOYSA-N6-methoxy-5-bromo-1-cyanonaphthalene
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