CC1=C(C=CC=C1Br)O
CAS: 7766-23-6
名称: 3-bromo-2-methylphenol
SMILES: CC1=C(C=CC=C1Br)O

Molecular Processing

Molecular formula
C7H7BrO
Molecular weight
187.04
Exact mass
185.968
XLogP
2.46
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
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
40.54

Supplementary Information

InChIKey: WPDXAMRGYMDTOV-UHFFFAOYSA-N
同義語
3-BROMO-2-METHYLPHENOL7766-23-6RefChem:93132812-303-23-Bromo-2-methyl phenolMFCD11100990Phenol, bromo-2-methyl-3-bromo-2-methyl-phenol2-Bromo-6-hydroxytoluene; 2-Methyl-3-bromophenol3-bromocresol2-Methyl-3-bromphenolSCHEMBL165287SCHEMBL2051264SCHEMBL14151455SCHEMBL28173349WPDXAMRGYMDTOV-UHFFFAOYSA-NDTXSID301346648CL8471AKOS006307133CS-W005698GS-4156MB09253AC-28524SY028337EN300-122827F044933
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