| CAS Number | 1150518-74-3 |
| Catalog Number | AG00HCXU(AGN-PC-093R06) |
| Chemical Name | 2,2-difluorocyclobutane-1-carboxylic acid |
| IUPAC Name | 2,2-difluorocyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C5H6F2O2/c6-5(7)2-1-3(5)4(8)9/h3H,1-2H2,(H,8,9) |
| InChI Key | CEDIFJKUTKENCU-UHFFFAOYSA-N |
| MDL Number | MFCD09834759 |
| Molecular Formula | C5H6F2O2 |
| Molecular Weight | 136.0967 |
| SMILES | O=C(C1C(F)(F)CC1)O |
| Synonyms | 2,2-difluorocyclobutanecarboxylic acid,
1150518-74-3,
2,2-difluorocyclobutane-1-carboxylic acid,
SCHEMBL3714631,
MFCD09834759,
AKOS006329392,
SB11126,
2,2-difluorocyclobutane-1-carboxylicacid,
AS-50638,
DB-017520,
CS-0055423,
FT-0752004,
S04-0205,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.098g/mol |
| Monoisotopic Mass | 136.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number