CC1=C(C=CC(=C1)O)Br
CAS: 14472-14-1
Name: 4-bromo-3-methylphenol
SMILES: CC1=C(C=CC(=C1)O)Br

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: GPOQODYGMUTOQL-UHFFFAOYSA-N
Synonyme
4-Bromo-3-methylphenol14472-14-14-Bromo-m-cresolEINECS 238-464-3DTXSID80162791RefChem:520381DTXCID6085282238-464-3Phenol, 4-bromo-3-methyl-4-bromo-3-methyl-phenolMFCD000797234-bromo-5-methyl-phenolm-Cresol, 4-bromo-4-bromo-3-methyl phenol4-Bromo-3-methylphenol #9KTP3W6RV2SCHEMBL49999SCHEMBL5009363SCHEMBL6633194SCHEMBL66332114-Bromo-3-methylphenol, 98%CS-D0701SBB043774AKOS000274493AC-6544FB45565SB33667AS-17315BP-12644SY007895
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