CC(C)C1=C(C=CC(=C1)Br)O
CAS: 26307-50-6
Name: 4-bromo-2-propan-2-ylphenol
SMILES: CC(C)C1=C(C=CC(=C1)Br)O

Molecular Processing

Molecular formula
C9H11BrO
Molecular weight
215.09
Exact mass
213.9993
XLogP
3.28
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
0.333
Molar refractivity
49.9

Supplementary Information

InChIKey: IRIAFTMIYRJHNZ-UHFFFAOYSA-N
Synonyme
26307-50-64-BROMO-2-(PROPAN-2-YL)PHENOLDTXSID50564102RefChem:290655DTXCID405148784-Bromo-2-isopropylphenol4-Bromo-2-propan-2-ylphenolPHENOL, 4-BROMO-2-(1-METHYLETHYL)-4-Bromo-2-(1-Methylethyl)Phenol4-Bromo-2-isopropyl-phenolMFCD000402034-Bromo-2-isopropyl-phenol; 4-Bromo-2-isopropylphenol;SCHEMBL2828354-bromo-2-(methylethyl)phenolSCHEMBL31182212IRIAFTMIYRJHNZ-UHFFFAOYSA-NSBB080810AKOS005267226MB00402AS-39425SY123583DB-367457CS-0008502EN300-114349F244071Z1269143433
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