C1=CC(=C(C=C1C(=O)O)F)F
CAS: 455-86-7
Name: 3,4-difluorobenzoic acid
SMILES: C1=CC(=C(C=C1C(=O)O)F)F

Molecular Processing

Molecular formula
C7H4F2O2
Molecular weight
158.1
Exact mass
158.0179
XLogP
1.66
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
Molar refractivity
33.32

Supplementary Information

InChIKey: FPENCTDAQQQKNY-UHFFFAOYSA-N
Synonyme
3,4-Difluorobenzoic acid455-86-7Benzoic acid, 3,4-difluoro-EINECS 207-249-6NSC 190686DTXSID60196539RefChem:91065DTXCID50119030207-249-6FPENCTDAQQQKNY-UHFFFAOYSA-NInChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,113,4-DifluorobenzoicacidMFCD000116723,4-difluoro-benzoic acidNSC-190686Baloxavir Marboxil Impurity 38NSC190686J5J3RFV8N6SCHEMBL27151orb3030429SCHEMBL5685055SCHEMBL293496803,4-Difluorobenzoic acid, 98%Fr13874CK2210SBB006721STK802568AKOS000121204AC-6252BS-3870
Quelle anzeigen →
An 98 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→