CAS: 656-46-2
이름: 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
SMILES:
C1=CC2=C(C=C1C(=O)O)OC(O2)(F)FMolecular Processing
Molecular formula
C8H4F2O4
Molecular weight
202.11
Exact mass
202.0078
XLogP
1.71
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.6
Supplementary Information
InChIKey: VJLDRFCNFNQTTH-UHFFFAOYSA-N
동의어
656-46-22,2-Difluoro-1,3-benzodioxole-5-carboxylic acidDTXSID00346016RefChem:81007DTXCID50297089613-828-82,2-Difluorobenzo[d][1,3]dioxole-5-carboxylic acid2,2-Difluorobenzodioxole-5-carboxylic acid2,2-DIFLUORO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACIDMFCD007924173,4-[Difluoromethylenedioxy]benzoic acidSCHEMBL3514001,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylicacid2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACIDSBB053354AKOS005762881CS-W015523PB10171PS-6613SY041886DB-054830NS00125997ST50407380EN300-97407P101432,2-difluoro-1,3-dioxaindane-5-carboxylic acid2,2-difluorobenzo-1,3dioxole-5-carboxylic acid2,2-difluorobenzo[1,3]dioxol-5-carboxylic acid2,2-difluoro-benzo[1,3]dioxol-5-carboxylic acid
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