| CAS Number | 85345-74-0 |
| Catalog Number | AG00G4KZ(AGN-PC-0V02DL) |
| Chemical Name | 3-Chloro-2-fluorobenzoyl fluoride |
| IUPAC Name | 3-chloro-2-fluorobenzoyl fluoride |
| InChI | InChI=1S/C7H3ClF2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H |
| InChI Key | OXAUIKNREWJQFP-UHFFFAOYSA-N |
| MDL Number | MFCD04972721 |
| Molecular Formula | C7H3ClF2O |
| Molecular Weight | 176.5479 |
| SMILES | ClC1=CC=CC(C(=O)F)=C1F |
| Synonyms | 3-chloro-2-fluorobenzoyl fluoride,
85345-74-0,
3-Chloro-2-fluoro-benzoyl fluoride,
SCHEMBL9693738,
3-chloro-2-fluorobenzoylfluoride,
CTK7B6113,
DTXSID60600601,
3-chloro-2-fluoro-benzoylfluoride,
ZINC2540180,
ZX-AP001415,
FCH921213,
MFCD04972721,
PC4272,
SBB089207,
AKOS006343956,
3-chloranyl-2-fluoranyl-benzoyl fluoride,
PS-10933,
FT-0692101,
A841300,
Benzoyl fluoride, 3-chloro-2-fluoro- (9CI),
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.547g/mol |
| Monoisotopic Mass | 175.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number