CAS: 40493-34-3
이름: 1-(1,3-benzodioxol-5-yl)-2-chloroethanol
SMILES:
C1OC2=C(O1)C=C(C=C2)C(CCl)OMolecular Processing
Molecular formula
C9H9ClO3
Molecular weight
200.62
Exact mass
200.024
XLogP
1.69
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.24
Supplementary Information
InChIKey: YWPJZZBYTIRESV-UHFFFAOYSA-N
동의어
SCHEMBL6500167YWPJZZBYTIRESV-UHFFFAOYSA-NAKOS0175600201-(3,4-methylenedioxyphenyl)-2-chloroethanol1-(1,3-dioxaindan-5-yl)-2-chloroethan-1-olEN300-1996354(S)-1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanol40493-34-3
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