| CAS Number | 918810-95-4 |
| Catalog Number | AG00IMM5(AGN-PC-0CKVLY) |
| Chemical Name | 3-(Difluoromethyl)benzenemethanamine |
| IUPAC Name | [3-(difluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C8H9F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2 |
| InChI Key | LTULTTDUHMVBFD-UHFFFAOYSA-N |
| MDL Number | MFCD18791601 |
| Molecular Formula | C8H9F2N |
| Molecular Weight | 157.1606 |
| SMILES | NCC1=CC(C(F)F)=CC=C1 |
| Synonyms | (3-(Difluoromethyl)phenyl)methanamine,
918810-95-4,
Benzenemethanamine, 3-(difluoromethyl)-,
[3-(difluoromethyl)phenyl]methanamine,
SCHEMBL4614066,
CTK3H5840,
DTXSID50730087,
ZINC90608878,
AKOS017413572,
1-[3-(Difluoromethyl)phenyl]methanamine,
AK-54275,
DS-14455,
AJ-129008,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.164g/mol |
| Monoisotopic Mass | 157.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number