| CAS Number | 55805-29-3 |
| Catalog Number | AG00I9YH(AGN-PC-00FS4V) |
| Chemical Name | Benzaldehyde, 4-(difluoromethyl)- |
| IUPAC Name | 4-(difluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H6F2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5,8H |
| InChI Key | UMZKSQJPDSRGJG-UHFFFAOYSA-N |
| MDL Number | MFCD18072541 |
| Molecular Formula | C8H6F2O |
| Molecular Weight | 156.1294 |
| SMILES | O=CC1=CC=C(C(F)F)C=C1 |
| Synonyms | 4-(difluoromethyl)benzaldehyde,
55805-29-3,
Benzaldehyde, 4-(difluoromethyl)-,
4-difluoromethylbenzaldehyde,
SCHEMBL472391,
CTK1E2365,
DTXSID40472060,
UMZKSQJPDSRGJG-UHFFFAOYSA-N,
MFCD18072541,
ZINC36419786,
AKOS023603025,
NE50054,
PS-11753,
J3.621.349C,
CID11768806,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.132g/mol |
| Monoisotopic Mass | 156.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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