CAS: 41876-52-2
名称: 2-benzyl-4-bromo-1-methoxybenzene
SMILES:
COC1=C(C=C(C=C1)Br)CC2=CC=CC=C2Molecular Processing
Molecular formula
C14H13BrO
Molecular weight
277.16
Exact mass
276.015
XLogP
4.05
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
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
69.94
Supplementary Information
InChIKey: XJJSSEXOKIYBPT-UHFFFAOYSA-N
同義語
2-benzyl-4-bromo-1-methoxybenzene41876-52-2MFCD329029752-benzyl-4-bromo-1-methoxy-benzene2-benzyl-4-bromo-anisoleSCHEMBL3891823XJJSSEXOKIYBPT-UHFFFAOYSA-NCS-0190246E96457
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