C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)Br)O
CAS: 104224-68-2
Name: 2-(1-adamantyl)-4-bromophenol
SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)Br)O

Molecular Processing

Molecular formula
C16H19BrO
Molecular weight
307.23
Exact mass
306.0619
XLogP
4.62
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
75.66

Supplementary Information

InChIKey: NYJXKHIVLGWPCF-UHFFFAOYSA-N
Synonyme
2-(1-Adamantyl)-4-bromophenol104224-68-22-(Adamantan-1-yl)-4-bromophenol2-ADAMANTYL-4-BROMOPHENOLMFCD00169077C16H19BrO2-(1-adamantyl)-4-bromo-phenolAdapalene Impurity 182-adamantanyl-4-bromophenolSCHEMBL1781232-adamantan-1-yl-4-bromophenolNYJXKHIVLGWPCF-UHFFFAOYSA-NAKOS003368557AKOS040768943AB04265AC-7764AS-9456FA708323-adamantan-1-yl-4-hydroxy-bromobenzeneSY229568DB-019359CS-0335555ST45024073C71173
Quelle anzeigen →
An 32 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→