Chemical Property of 3',5'-Difluoromethotrexate
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA:210.54000
- Density:1.612g/cm3
- LogP:2.09990
- XLogP3:-1.2
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:9
- Exact Mass:490.15247209
- Heavy Atom Count:35
- Complexity:770
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3F)C(=O)NC(CCC(=O)O)C(=O)O)F
- Isomeric SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)F