CAS: 69048-76-6
Название: (6-iodo-1,3-benzodioxol-5-yl)methanol
SMILES:
C1OC2=C(O1)C=C(C(=C2)CO)IMolecular Processing
Molecular formula
C8H7IO3
Molecular weight
278.04
Exact mass
277.944
XLogP
1.51
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
51.2
Supplementary Information
InChIKey: ODGKHOUSPOCIMB-UHFFFAOYSA-N
Синонимы
69048-76-6(6-Iodo-2H-1,3-benzodioxol-5-yl)methanolDTXSID60314458RefChem:209742DTXCID10265582(6-iodo-1,3-benzodioxol-5-yl)methanol5-(Hydroxymethyl)-6-iodo-1,3-benzodioxoleMFCD00666169(6-Iodobenzo[d][1,3]dioxol-5-yl)methanol(6-IODOBENZO[1,3]DIOXOL-5-YL)METHANOLNSC283806SCHEMBL3465437ODGKHOUSPOCIMB-UHFFFAOYSA-NAC6631AKOS037629627NSC-283806SY045093DB-100616
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