CAS: 1263098-97-0
名称: methyl 5-(3,3-dimethylbut-1-ynyl)-3-iodothiophene-2-carboxylate
SMILES:
CC(C)(C)C#CC1=CC(=C(S1)C(=O)OC)IMolecular Processing
Molecular formula
C12H13IO2S
Molecular weight
348.2
Exact mass
347.9681
XLogP
3.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
74.71
Supplementary Information
InChIKey: QHXNSBFQGFQEGI-UHFFFAOYSA-N
同義語
5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester1263098-97-0SCHEMBL325928QHXNSBFQGFQEGI-UHFFFAOYSA-NDB-306161methyl 5-(3,3-dimethylbut-1-ynyl)-3-iodo-thiophene-2-carboxylate5-(3,3-dimethyl-but-1ynyl)-3-iodo-thiophene-2-carboxylic acid methyl esterMethyl 5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylate
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