COC1=CC(=CC=C1)Br
CAS: 2398-37-0
Name: 1-bromo-3-methoxybenzene
SMILES: COC1=CC(=CC=C1)Br

Molecular Processing

Molecular formula
C7H7BrO
Molecular weight
187.04
Exact mass
185.968
XLogP
2.46
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.69

Supplementary Information

InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N
Synonyme
3-Bromoanisole2398-37-01-BROMO-3-METHOXYBENZENEm-BromoanisoleBenzene, 1-bromo-3-methoxy-3-Methoxybromobenzenem-BromomethoxybenzeneAnisole, m-bromo-3-Methoxy-1-bromobenzenem-Methoxybromobenzenem-Bromophenyl methyl etherNSC 82293DTXSID40446187ZO6TY38WYEINECS 219-264-5NSC-82293DTXCID2024618mBromoanisoleAnisole, mbromomBromomethoxybenzenemMethoxybromobenzene3Methoxybromobenzene1Bromo3methoxybenzene3Methoxy1bromobenzeneBenzene, 1bromo3methoxymBromophenyl methyl etherAnisole, mbromo (8CI)RefChem:499294Anisole, m-bromo-(8CI)219-264-5
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