| CAS Number | 1093751-02-0 |
| Catalog Number | AG00HBFX(AGN-PC-0WNGUQ) |
| Chemical Name | 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid |
| IUPAC Name | 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid |
| InChI | InChI=1S/C7H8F2O2/c8-7(9)4-1-3(6(10)11)2-5(4)7/h3-5H,1-2H2,(H,10,11) |
| InChI Key | IOQVITCQIHHDBC-UHFFFAOYSA-N |
| MDL Number | MFCD27923654 |
| Molecular Formula | C7H8F2O2 |
| Molecular Weight | 162.1340 |
| SMILES | O=C(C1CC2C(F)(F)C2C1)O |
| Synonyms | 6,6-DIFLUOROBICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID,
1093751-02-0,
SCHEMBL4022933,
SCHEMBL15116895,
MFCD15526993,
AKOS026716804,
AB70682,
SB17535,
KS-0000065C,
AS-42348,
SC-25260,
CS-0050368,
6,6-Ddifluorobicyclo[3.1.0]hexane-3-carboxylic acid,
6,6-Difluoro-bicyclo[3.1.0]hexane-3-carboxylic aci,
F2147-4005,
6,6-DIFLUORO-BICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.136g/mol |
| Monoisotopic Mass | 162.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number