C1COC2(O1)CC(C2)(C3=CC=C(C=C3)Br)N
CAS: 1199556-85-8
الاسم: 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-amine
SMILES: C1COC2(O1)CC(C2)(C3=CC=C(C=C3)Br)N

Molecular Processing

Molecular formula
C12H14BrNO2
Molecular weight
284.15
Exact mass
283.0208
XLogP
2.14
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.88

Supplementary Information

InChIKey: LZYMVCJDCZOUCW-UHFFFAOYSA-N
مرادفات
2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-amine1199556-85-8SCHEMBL237630DTXSID60728955LZYMVCJDCZOUCW-UHFFFAOYSA-NAKOS016000370DB-364049CS-03387842(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-amine2-(4-Bromo-phenyl)-5,8-dioxa-spiro[3.4]oct-2-ylamine
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