CC1=C(OC2=C1C(=C(C=C2)Cl)OC(C)C)C(=O)O
CAS: 857080-98-9
名称: 5-chloro-3-methyl-4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
SMILES: CC1=C(OC2=C1C(=C(C=C2)Cl)OC(C)C)C(=O)O

Molecular Processing

Molecular formula
C13H13ClO4
Molecular weight
268.7
Exact mass
268.0502
XLogP
3.88
TPSA
59.67
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.68

Supplementary Information

InChIKey: RTPYGQOXQXCIHB-UHFFFAOYSA-N
同義語
5-chloro-4-isopropoxy-3-methyl-benzofuran-2-carboxylic acid857080-98-9SCHEMBL3606940RTPYGQOXQXCIHB-UHFFFAOYSA-NAT26375DB-1552515-Chloro-4-isopropoxy-3-methylbenzofuran-2-carboxylic acid
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