CC1=C(C=CC(=C1)Br)O
CAS: 2362-12-1
名称: 4-bromo-2-methylphenol
SMILES: CC1=C(C=CC(=C1)Br)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: IWJGMJHAIUBWKT-UHFFFAOYSA-N
同義語
4-Bromo-2-methylphenolPhenol, 4-bromo-2-methyl-o-CRESOL, 4-BROMO-BRN 2041491DTXSID801782914-06-00-02006 (Beilstein Handbook Reference)RefChem:98095DTXCID10100782627-649-8IWJGMJHAIUBWKT-UHFFFAOYSA-N2362-12-14-Bromo-o-cresol4-bromo-2-methyl-phenolMFCD000554352-methyl-4-bromophenol2-hydroxy-5-bromotoluenep-bromocresol4-bromo-cresolMWJSCHEMBL49677CHEMBL224022SCHEMBL2921961SCHEMBL6196736SCHEMBL61967394-Bromo-2-methylphenol, 97%SCHEMBL19615020SCHEMBL29155226SBB079997STK082965AKOS000319641
出典を見る →
54 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→