CAS: 6627-55-0
名称: 2-bromo-4-methylphenol
SMILES:
CC1=CC(=C(C=C1)O)BrMolecular 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: MTIDYGLTAOZOGU-UHFFFAOYSA-N
同義語
2-Bromo-4-methylphenol6627-55-02-Bromo-p-cresolPhenol, 2-bromo-4-methyl-3-Bromo-4-hydroxytolueneU7N9MXC7HGEINECS 229-595-7NSC 60115BRN 1859036NSC-60115DTXSID80745744-06-00-02143 (Beilstein Handbook Reference)RefChem:85740DTXCID0044781MTIDYGLTAOZOGU-UHFFFAOYSA-N2-bromo-4-methyl-phenolp-CRESOL, 2-BROMO-MFCD00002151NSC60115p-Cresol, 2-bromo- (6CI,7CI,8CI); 2-Bromo-4-methylphenol; 2-Bromo-4-cresol; 2-Bromo-p-cresol; 3-Bromo-4-hydroxytoluene; NSC 60115UNII-U7N9MXC7HGSCHEMBL358697orb2940170SCHEMBL59616802-Bromo-4-methylphenol, 96%SCHEMBL14152078SCHEMBL29003926SCHEMBL31501478SBB079996TYD-00409
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